April 2010 Archives by author

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Starting: Thu Apr 1 00:27:21 CEST 2010
Ending: Fri Apr 30 22:33:58 CEST 2010
Messages: 745

[gmx-users] custom forcefields or a new forcefields Mark Abraham
[gmx-users] custom forcefields or a new forcefields Mark Abraham
[gmx-users] X's in the ffcharmm27bon.itp force field Mark Abraham
[gmx-users] how to choose rlist and cutoffs Mark Abraham
[gmx-users] Re: Parameters for AOT molecule/Too few parameters on line Mark Abraham
[gmx-users] Re: gmx-users Digest, Vol 72, Issue 13 Mark Abraham
[gmx-users] help regarding gromacs Mark Abraham
[gmx-users] loab imbalance. Mark Abraham
[gmx-users] about ending basepairs in DNA simulation Mark Abraham
[gmx-users] link gromacs i7 Mark Abraham
[gmx-users] Coulomb LR - PME vs. Cut-off Mark Abraham
[gmx-users] Protein is having non-integral charge Mark Abraham
[gmx-users] converting parmbsc0 dihedrals to RB function Mark Abraham
[gmx-users] position_restraint anfd full Dynamics and berendsen Nose hoover Thermostat Mark Abraham
[gmx-users] Memory corruption on SAS computation of a large (~1000000 frames) file Mark Abraham
[gmx-users] Fwd: help Mark Abraham
[gmx-users] Simulating a metal slab Mark Abraham
[gmx-users] position_restraint anfd full Dynamics and berendsen Nose hoover Thermostat Mark Abraham
[gmx-users] energy minimization - infinite force on atom Mark Abraham
[gmx-users] Potein-protein complex simulations Mark Abraham
[gmx-users] Re: EM crashes Mark Abraham
[gmx-users] install problem of ngmx. Mark Abraham
[gmx-users] converting parmbsc0 dihedrals to RB function Mark Abraham
[gmx-users] problem with total energy Mark Abraham
[gmx-users] gromos ffG653a6 parameters for MTSET Mark Abraham
[gmx-users] hou to Construct the oil/water interface Mark Abraham
[gmx-users] g_sas -pbc ??? Mark Abraham
[gmx-users] non-integral charge on my modeled protein structure Mark Abraham
[gmx-users] non-integral charge on my modeled protein structure Mark Abraham
[gmx-users] problem with NVE ensemble simulation with Martini lipid Mark Abraham
[gmx-users] isntall problem of ngmx Mark Abraham
[gmx-users] construct CG membrane protein and CG membrane and inflategro.pl Mark Abraham
[gmx-users] install problem of ngmx Mark Abraham
[gmx-users] output in gromos format Mark Abraham
[gmx-users] Regarding Error "Atomtype OS not found" Mark Abraham
[gmx-users] How to prepare the two tolopogy files when doing TI calculation? Mark Abraham
[gmx-users] questions about energy minimization Mark Abraham
[gmx-users] OpenMM Mark Abraham
[gmx-users] OpenMM Mark Abraham
[gmx-users] OpenMM Mark Abraham
[gmx-users] OpenMM Mark Abraham
[gmx-users] modifying source code Mark Abraham
[gmx-users] Re: ffcharmm27 for HEME Mark Abraham
[gmx-users] slow speed Mark Abraham
[gmx-users] Is PME related to nslist?? Mark Abraham
[gmx-users] Had anybody modied the source code of gromacs Mark Abraham
[gmx-users] Re: Gromacs issue Mark Abraham
[gmx-users] Directional calculation Sg and Potential Mark Abraham
[gmx-users] Problem with tabulated potentials Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] parallel simulation in dual core PC Mark Abraham
[gmx-users] interaction parameter, polyolefin solution, ternary system Mark Abraham
[gmx-users] Re: gromacs Mark Abraham
[gmx-users] simulated annealing Mark Abraham
[gmx-users] how to use altivec on power6 cpu Mark Abraham
[gmx-users] parallel simulation in dual core PC Mark Abraham
[gmx-users] parallel simulation in dual core PC Mark Abraham
[gmx-users] g_rama, g_chi for polymer structure Mark Abraham
[gmx-users] Understanding template.c Mark Abraham
[gmx-users] grompp, energy minimization,, output file error Mark Abraham
[gmx-users] more than one peptide in one simulation box Mark Abraham
[gmx-users] To calculate surface area of of simulated protein Mark Abraham
[gmx-users] grompp error(Segmentation fault) Mark Abraham
[gmx-users] grompp error(Segmentation fault) Mark Abraham
[gmx-users] distance restrainrts problem Mark Abraham
[gmx-users] simulated annealing Mark Abraham
[gmx-users] Segmentation fault with gromacs executables Mark Abraham
[gmx-users] Segmentation fault with gromacs executables Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] more than one peptide in one simulation box Mark Abraham
[gmx-users] mutation to/from proline Mark Abraham
[gmx-users] more than one peptide in one simulation box Mark Abraham
[gmx-users] 64-bit gromacs-4.0.7 for Mac OSX Mark Abraham
[gmx-users] 64-bit gromacs-4.0.7 for Mac OSX Mark Abraham
[gmx-users] Remove water from trajectory Mark Abraham
[gmx-users] Problem in the gromacs git version Mark Abraham
[gmx-users] Postdoctoral position in BCAM Elena Akhmatskaya
[gmx-users] Re: converting parmbsc0 dihedrals to RB function Alan
[gmx-users] Re: converting parmbsc0 dihedrals to RB function Alan
[gmx-users] Re: converting parmbsc0 dihedrals to RB function Alan
[gmx-users] Re: converting parmbsc0 dihedrals to RB function Alan
[gmx-users] Re: how many dihedral angles should be included for the naphthalene molecule if I use oplsaa Alan
[gmx-users] OpenMM Rossen Apostolov
[gmx-users] .itp file for DMSO needs to be changed - bug report Saikat Banerjee
[gmx-users] Sarath Kumar Baskaran wants to stay in touch on LinkedIn Sarath Kumar Baskaran
[gmx-users] density tip3p Zuzana Benkova
[gmx-users] density tip3p Zuzana Benkova
[gmx-users] Invitation to connect on LinkedIn Karel Berka
[gmx-users] energy minimization in charged systems Ravi Bhadauria
[gmx-users] Finishing time donot showing Bharath.K
[gmx-users] Finishing time donot showing Bharath.K
[gmx-users] Re: Charmm port files for Gromacs Pär Bjelkmar
[gmx-users] Re: charmm lipid simulation and vsites Pär Bjelkmar
[gmx-users] Re: ffcharmm27 for HEME Pär Bjelkmar
[gmx-users] Problem with Charmm in gromacs Pär Bjelkmar
[gmx-users] Concerns with g_wham Jennifer Casey
[gmx-users] Concerns with g_wham Jennifer Casey
[gmx-users] Segmentation fault with g_order Javier Cerezo
[gmx-users] from cpmd to gromacs Vitaly V. Chaban
[gmx-users] Re: Regarding Error "Atomtype OS not found" Vitaly V. Chaban
[gmx-users] Re: How to set the density of the box? Vitaly V. Chaban
[gmx-users] *.xtc file is not getting created by mdrun program :( Bharath.K. Chakravarthi
[gmx-users] *.xtc file is not getting created by mdrun program :( Bharath.K. Chakravarthi
[gmx-users] *.xtc file is not getting created by mdrun program :( Bharath.K. Chakravarthi
[gmx-users] *.xtc file is not getting created by mdrun program :( Bharath.K. Chakravarthi
[gmx-users] *.xtc file is not getting created by mdrun program :( Bharath.K. Chakravarthi
[gmx-users] nstfout parameter Bharath.K. Chakravarthi
[gmx-users] is it any serious error Bharath.K. Chakravarthi
[gmx-users] simulating the effect of Ph Bharath.K. Chakravarthi
[gmx-users] Finishing time donot showing Bharath.K. Chakravarthi
[gmx-users] Size of generating data Bharath.K. Chakravarthi
[gmx-users] Finishing time donot showing Bharath.K. Chakravarthi
[gmx-users] Finishing time donot showing Bharath.K. Chakravarthi
[gmx-users] Finishing time donot showing Bharath.K. Chakravarthi
[gmx-users] To calculate surface area of of simulated protein Bharath.K. Chakravarthi
[gmx-users] implicit solvent simulation in gromacs Chanchal
[gmx-users] Coulomb LR - PME vs. Cut-off Marc Charendoff
[gmx-users] gromacs, lam and condor Hsin-Lin Chiang
[gmx-users] Re: gmx-users Digest, Vol 72, Issue 13 Hsin-Lin Chiang
[gmx-users] gromacs, lam and condor Hsin-Lin Chiang
[gmx-users] Amino acid simulation Chandan Choudhury
[gmx-users] Amino acid simulation Chandan Choudhury
[gmx-users] Understanding template.c Chandan Choudhury
[gmx-users] g_rama, g_chi for polymer structure Yongchul Chung
[gmx-users] Protein in water/DMSO mixture with Amber Simone Cirri
[gmx-users] grompp error(Segmentation fault) Arik Cohen
[gmx-users] grompp error(Segmentation fault) Arik Cohen
[gmx-users] grompp error(Segmentation fault) Arik Cohen
[gmx-users] grompp error(Segmentation fault) Arik Cohen
[gmx-users] Memory corruption on SAS computation of a large (~1000000 frames) file Camilo Andrés Jimenez Cruz
[gmx-users] Memory corruption on SAS computation of a large (~1000000 frames) file Camilo Andrés Jimenez Cruz
[gmx-users] slow speed Shuangxing Dai
[gmx-users] Re: slow speed Shuangxing Dai
[gmx-users] Force output Avisek Das
[gmx-users] energy minimization - infinite force on atom Evelyne Deplazes
[gmx-users] gromos ffG653a6 parameters for MTSET Evelyne Deplazes
[gmx-users] .mtx file Nilesh Dhumal
[gmx-users] .mtx file Nilesh Dhumal
[gmx-users] .mtx file Nilesh Dhumal
[gmx-users] .mtx file Nilesh Dhumal
[gmx-users] RDF Nilesh Dhumal
[gmx-users] angle Nilesh Dhumal
[gmx-users] Units + normal mode analysis Nilesh Dhumal
[gmx-users] slow speed Florian Dommert
[gmx-users] Dihedral potentials Florian Dommert
[gmx-users] Dihedral potentials Florian Dommert
[gmx-users] RDF Florian Dommert
[gmx-users] custom forcefields or a new forcefields DreamCatcher
[gmx-users] custom forcefields or a new forcefields DreamCatcher
[gmx-users] questions about energy minimization DreamCatcher
[gmx-users] how to get averaged coordinates for a residue in a time interval? Dmitri Dubov
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box ERIKSSON, EMMA
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box ERIKSSON, EMMA
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box ERIKSSON, EMMA
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box ERIKSSON, EMMA
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box ERIKSSON, EMMA
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box ERIKSSON, EMMA
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box ERIKSSON, EMMA
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box ERIKSSON, EMMA
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box ERIKSSON, EMMA
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box ERIKSSON, EMMA
[gmx-users] Re: gmx-users Digest, Vol 72, Issue 36 Ozge Engin
[gmx-users] g_sas to calculate the n-hexane/water interface surface area Ozge Engin
[gmx-users] g_sas command with the -q option Ozge Engin
[gmx-users] manual eq. 4.74-4.75 (dihedral restraints) head scratcher Daniel L. Ensign
[gmx-users] Re: manual eq. 4.74-4.75 (dihedral restraints) head scratcher Daniel L. Ensign
[gmx-users] Reg: Running gromacs on a condor cluster Esztermann, Ansgar
[gmx-users] Reg: Running gromacs on a condor cluster Rohit Farmer
[gmx-users] Restraints of COM Eudes Fileti
[gmx-users] Restraints of COM 2 Eudes Fileti
[gmx-users] Normal Mode Analysis Ran Friedman
[gmx-users] NVE mdp Ramachandran G
[gmx-users] Re: ffcharmm27 for HEME Ramachandran G
[gmx-users] Re: ffcharmm27 for HEME Ramachandran G
[gmx-users] 'SHAKE' : gromacs 4.0.7 Ramachandran G
[gmx-users] OpenMM PACIELLO GIULIA
[gmx-users] OpenMM PACIELLO GIULIA
[gmx-users] OpenMM PACIELLO GIULIA
[gmx-users] OpenMM PACIELLO GIULIA
[gmx-users] OpenMM PACIELLO GIULIA
[gmx-users] OpenMM PACIELLO GIULIA
[gmx-users] Question about setting deprotonated cys in enzyme structure .... Alberto Sergio Garay
[gmx-users] Joining two peptide chains Anirban Ghosh
[gmx-users] Joining two peptide chains Anirban Ghosh
[gmx-users] Hydrogens missing during parameterization Anirban Ghosh
[gmx-users] Hydrogens missing during parameterization Anirban Ghosh
[gmx-users] Hydrogens missing during parameterization Anirban Ghosh
[gmx-users] Freezing a portion of a protein during simulation Anirban Ghosh
[gmx-users] Normal Mode Analysis Anirban Ghosh
[gmx-users] Normal Mode Analysis Anirban Ghosh
[gmx-users] Freezing a portion of a protein during simulation Anirban Ghosh
[gmx-users] Freezing a portion of a protein during simulation Anirban Ghosh
[gmx-users] Freezing a portion of a protein during simulation Anirban Ghosh
[gmx-users] Freezing a portion of a protein during simulation Anirban Ghosh
[gmx-users] Simulation of ONLY Lipid Bilayer Anirban Ghosh
[gmx-users] Freezing a portion of a protein during simulation Anirban Ghosh
[gmx-users] Remove water from trajectory Anirban Ghosh
[gmx-users] parametrization of FAD Giulia Gonnelli
[gmx-users] angle Oliver Grant
[gmx-users] comm-grps problem gromacs 4.0.4 Oliver Grant
[gmx-users] comm-grps problem gromacs 4.0.4 Oliver Grant
[gmx-users] how many dihedral angles should be included for the naphthalene molecule if I use oplsaa Ming Han
[gmx-users] how many dihedral angles should be included for the naphthalene molecule if I use oplsaa Ming Han
[gmx-users] Lateral pressure profile in membrane simulations Fernando E. Herrera
[gmx-users] the LINCS and SETTLE constraint connection matrices are mass weighted Berk Hess
[gmx-users] Re: loab imbalance Berk Hess
[gmx-users] RE: Re: loab imbalance Berk Hess
[gmx-users] Re: Re: loab imbalance Berk Hess
[gmx-users] link gromacs i7 Berk Hess
[gmx-users] Re: loab imbalance Berk Hess
[gmx-users] Dihedral potentials Berk Hess
[gmx-users] manual eq. 4.74-4.75 (dihedral restraints) head scratcher Berk Hess
[gmx-users] Problem with tabulated potentials for 3 different atoms Berk Hess
[gmx-users] Problem with tabulated potentials for 3 different atoms Berk Hess
[gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations Berk Hess
[gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations Berk Hess
[gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations Berk Hess
[gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations Berk Hess
[gmx-users] .itp file for DMSO needs to be changed - bug report Esteban Gabriel Vega Hissi
[gmx-users] .itp file for DMSO needs to be changed - bug report Esteban Gabriel Vega Hissi
[gmx-users] Re: g_wham giving flat free energy Stefan Hoorman
[gmx-users] Amino acid simulation Tamas Horvath
[gmx-users] output of dssp Hsin-Lin
[gmx-users] parallel simulation in dual core PC Hsin-Lin
[gmx-users] parallel simulation in dual core PC Hsin-Lin
[gmx-users] Concerns with g_wham Jochen Hub
[gmx-users] slow speed Jochen Hub
[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes Jochen Hub
[gmx-users] g_wham giving flat free energy Jochen Hub
[gmx-users] g_wham gets stuck Jochen Hub
[gmx-users] g_wham gets stuck Jochen Hub
[gmx-users] CHARMM to GROMACS perl scripts Peter Huwe
[gmx-users] H-bonds Carla Jamous
[gmx-users] Simulation of only Lipid Bilayer Itamar Kass
[gmx-users] 1-4 interaction and Buckingham potential Markus Kaukonen
[gmx-users] Lateral pressure profile in membrane simulations George Khelashvili
[gmx-users] Lateral pressure profile in membrane simulations George Khelashvili
[gmx-users] PhD position Kukol, Andreas
[gmx-users] Re: slow speed Carsten Kutzner
[gmx-users] The problems of controling one atom through modifygromacs sourse code Carsten Kutzner
[gmx-users] make_edi Carsten Kutzner
[gmx-users] Re: Re: loab imbalance #ZHAO LINA#
[gmx-users] xml #ZHAO LINA#
[gmx-users] Is PME related to nslist?? Joonho Lee
[gmx-users] Is there sth. wrong with my pull code? Justin A. Lemkul
[gmx-users] water box with prescribed volume and density Justin A. Lemkul
[gmx-users] how to get averaged coordinates for a residue in a time interval? Justin A. Lemkul
[gmx-users] Parameters for AOT molecule/Too few parameters on line Justin A. Lemkul
[gmx-users] insert silicon atoms into ice structure Justin A. Lemkul
[gmx-users] Visualization of .trr problem in VMD Justin A. Lemkul
[gmx-users] g_sas Justin A. Lemkul
[gmx-users] DSSP => how to edit .eps file Justin A. Lemkul
[gmx-users] Potential Tables for user defined potentials Justin A. Lemkul
[gmx-users] Re: insert silicon atoms into ice structure (Justin A. Lemkul) Justin A. Lemkul
[gmx-users] DSSP=> how to edit .eps file Justin A. Lemkul
[gmx-users] Potential Tables for user defined potentials Justin A. Lemkul
[gmx-users] DSSP=> how to edit .eps file Justin A. Lemkul
[gmx-users] dssp FATAL ERROR. Justin A. Lemkul
[gmx-users] Topology and force fields Justin A. Lemkul
[gmx-users] Potential Tables for user defined potentials Justin A. Lemkul
[gmx-users] Re: gmx-users Digest, Vol 72, Issue 21 (dssp FATAL ERROR) Justin A. Lemkul
[gmx-users] Simulation of only Lipid Bilayer Justin A. Lemkul
[gmx-users] Re: loab imbalance Justin A. Lemkul
[gmx-users] Visualization of .trr problem in VMD Justin A. Lemkul
[gmx-users] Re: Re: loab imbalance Justin A. Lemkul
[gmx-users] energy is coming "nan" Justin A. Lemkul
[gmx-users] Regarding inflategro.pl Justin A. Lemkul
[gmx-users] Re: Query regarding Gromacs Justin A. Lemkul
[gmx-users] an energy minimization question, working with H-BONDS Justin A. Lemkul
[gmx-users] Potential Tables for user defined potentials Justin A. Lemkul
[gmx-users] H-bonds Justin A. Lemkul
[gmx-users] InflateGRO and pentamer protein simulation Justin A. Lemkul
[gmx-users] Re: Bilayer Justin A. Lemkul
[gmx-users] problem with total energy Justin A. Lemkul
[gmx-users] problem with total energy Justin A. Lemkul
[gmx-users] mdsimulation of drug enzyme complex Justin A. Lemkul
[gmx-users] mdsimulation of drug enzyme complex Justin A. Lemkul
[gmx-users] mdsimulation of drug enzyme complex Justin A. Lemkul
[gmx-users] InflateGRO and pentamer protein simulation Justin A. Lemkul
[gmx-users] remove from mailing list Justin A. Lemkul
[gmx-users] Fe+2 not found in forcefield ffG43a1 Justin A. Lemkul
[gmx-users] How to deal with the top files Justin A. Lemkul
[gmx-users] install problem of ngmx Justin A. Lemkul
[gmx-users] install problem of ngmx Justin A. Lemkul
[gmx-users] construct CG membrane protein and CG membrane and inflategro.pl Justin A. Lemkul
[gmx-users] construct CG membrane protein and CG membrane and inflategro.pl Justin A. Lemkul
[gmx-users] construct CG membrane protein and CG membrane and inflategro.pl Justin A. Lemkul
[gmx-users] output in gromos format Justin A. Lemkul
[gmx-users] Amino acid simulation Justin A. Lemkul
[gmx-users] Trehalose RTP file trouble Justin A. Lemkul
[gmx-users] Segmentation fault with g_order Justin A. Lemkul
[gmx-users] How to change the resname? Justin A. Lemkul
[gmx-users] Re: Regarding Error "Atomtype OS not found" Justin A. Lemkul
[gmx-users] Re: Regarding Error "Atom type OS not found" Justin A. Lemkul
[gmx-users] Question about setting deprotonated cys in enzyme structure .... Justin A. Lemkul
[gmx-users] combining energy files Justin A. Lemkul
[gmx-users] Re: How to prepare the two tolopogy files when doing TI calculation? Justin A. Lemkul
[gmx-users] Hydrogens missing during parameterization Justin A. Lemkul
[gmx-users] *.xtc file is not getting created by mdrun program :( Justin A. Lemkul
[gmx-users] *.xtc file is not getting created by mdrun program :( Justin A. Lemkul
[gmx-users] *.xtc file is not getting created by mdrun program :( Justin A. Lemkul
[gmx-users] nstfout parameter Justin A. Lemkul
[gmx-users] How to set the density of the box? Justin A. Lemkul
[gmx-users] slow speed Justin A. Lemkul
[gmx-users] Re: slow speed Justin A. Lemkul
[gmx-users] TIP3P water box Justin A. Lemkul
[gmx-users] Protein in water/DMSO mixture with Amber Justin A. Lemkul
[gmx-users] load imbalance Justin A. Lemkul
[gmx-users] GROMACS reproducibility Justin A. Lemkul
[gmx-users] is it any serious error Justin A. Lemkul
[gmx-users] simulating the effect of Ph Justin A. Lemkul
[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes Justin A. Lemkul
[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes Justin A. Lemkul
[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes Justin A. Lemkul
[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes Justin A. Lemkul
[gmx-users] manual eq. 4.74-4.75 (dihedral restraints) head scratcher Justin A. Lemkul
[gmx-users] output of dssp Justin A. Lemkul
[gmx-users] about H-Bonds g_hbond Justin A. Lemkul
[gmx-users] Re: manual eq. 4.74-4.75 (dihedral restraints) head scratcher Justin A. Lemkul
[gmx-users] Re : keeping the protein in the centre of the simulation box. Justin A. Lemkul
[gmx-users] reference for gromos 87 within PRODRG Justin A. Lemkul
[gmx-users] Problem with tabulated potentials Justin A. Lemkul
[gmx-users] Concerns with g_wham Justin A. Lemkul
[gmx-users] about H-Bonds g_hbond Justin A. Lemkul
[gmx-users] genbox Justin A. Lemkul
[gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3 Justin A. Lemkul
[gmx-users] genbox Justin A. Lemkul
[gmx-users] Problems with g_energy Justin A. Lemkul
[gmx-users] Finishing time donot showing Justin A. Lemkul
[gmx-users] Problems with g_energy Justin A. Lemkul
[gmx-users] Problems with g_energy Justin A. Lemkul
[gmx-users] genbox Justin A. Lemkul
[gmx-users] Finishing time donot showing Justin A. Lemkul
[gmx-users] Finishing time donot showing Justin A. Lemkul
[gmx-users] Finishing time donot showing Justin A. Lemkul
[gmx-users] 'SHAKE' : gromacs 4.0.7 Justin A. Lemkul
[gmx-users] can't see bonds between my CG beads in VMD Justin A. Lemkul
[gmx-users] simulated annealing Justin A. Lemkul
[gmx-users] simulated annealing Justin A. Lemkul
[gmx-users] simulated annealing Justin A. Lemkul
[gmx-users] Atom Type not found............ Justin A. Lemkul
[gmx-users] genbox Justin A. Lemkul
[gmx-users] parallel simulation in dual core PC Justin A. Lemkul
[gmx-users] help(Free Energy) Justin A. Lemkul
[gmx-users] .mtx file Justin A. Lemkul
[gmx-users] Magic error xtc? Justin A. Lemkul
[gmx-users] Magic error xtc? Justin A. Lemkul
[gmx-users] No Temperature Coupling to protein Justin A. Lemkul
[gmx-users] .mtx file Justin A. Lemkul
[gmx-users] .mtx file Justin A. Lemkul
[gmx-users] grompp, energy minimization,, output file error Justin A. Lemkul
[gmx-users] Freezing a portion of a protein during simulation Justin A. Lemkul
[gmx-users] .mtx file Justin A. Lemkul
[gmx-users] Hydrocarbon system, help on mdp setting +output file Justin A. Lemkul
[gmx-users] Cutoff value during lipid shrinking using inflategro.pl script Justin A. Lemkul
[gmx-users] simulated annealing (SA) Justin A. Lemkul
[gmx-users] simulated annealing (SA) Justin A. Lemkul
[gmx-users] simulated annealing (SA) Justin A. Lemkul
[gmx-users] preprocessing in position restrained step, problem with binary top file Justin A. Lemkul
[gmx-users] grompp error(Segmentation fault) Justin A. Lemkul
[gmx-users] Ensemble Averaging Justin A. Lemkul
[gmx-users] simulated annealing (SA) Justin A. Lemkul
[gmx-users] grompp error(Segmentation fault) Justin A. Lemkul
[gmx-users] segmentation fault in position restrained step Justin A. Lemkul
[gmx-users] Re: Calculate RMSD Justin A. Lemkul
[gmx-users] periodic boundary box Justin A. Lemkul
[gmx-users] more than one peptide in one simulation box Justin A. Lemkul
[gmx-users] help Justin A. Lemkul
[gmx-users] more than one peptide in one simulation box Justin A. Lemkul
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box Justin A. Lemkul
[gmx-users] help Justin A. Lemkul
[gmx-users] Re: Solvent addition Justin A. Lemkul
[gmx-users] I noticed implicit_solvent in the mdout.mdp. Is it going to be implemented soon? Justin A. Lemkul
[gmx-users] h_bond error Justin A. Lemkul
[gmx-users] how many dihedral angles should be included for the naphthalene molecule if I use oplsaa Justin A. Lemkul
[gmx-users] how many dihedral angles should be included for the naphthalene molecule if I use oplsaa Justin A. Lemkul
[gmx-users] Freezing a portion of a protein during simulation Justin A. Lemkul
[gmx-users] more than one peptide in one simulation box Justin A. Lemkul
[gmx-users] simulated annealing (SA) Justin A. Lemkul
[gmx-users] implicit solvent simulation in gromacs Justin A. Lemkul
[gmx-users] 64-bit gromacs-4.0.7 for Mac OSX Justin A. Lemkul
[gmx-users] g_wham gets stuck Justin A. Lemkul
[gmx-users] angle Justin A. Lemkul
[gmx-users] Lincs warning Justin A. Lemkul
[gmx-users] comm-grps problem gromacs 4.0.4 Justin A. Lemkul
[gmx-users] Freezing a portion of a protein during simulation Justin A. Lemkul
[gmx-users] comm-grps problem gromacs 4.0.4 Justin A. Lemkul
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box Justin A. Lemkul
[gmx-users] Problem with Charmm in gromacs Justin A. Lemkul
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box Justin A. Lemkul
[gmx-users] g_wham gets stuck Justin A. Lemkul
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box Justin A. Lemkul
[gmx-users] Problem with Charmm in gromacs Justin A. Lemkul
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box Justin A. Lemkul
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box Justin A. Lemkul
[gmx-users] unstability of system, lincs problem Justin A. Lemkul
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box Justin A. Lemkul
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box Justin A. Lemkul
[gmx-users] Units + normal mode analysis Justin A. Lemkul
[gmx-users] How to reduce high repulsion from system? Justin A. Lemkul
[gmx-users] How to reduce high repulsion from system? Justin A. Lemkul
[gmx-users] .itp file for DMSO needs to be changed - bug report Justin A. Lemkul
[gmx-users] .itp file for DMSO needs to be changed - bug report Justin A. Lemkul
[gmx-users] parametrization of FAD Justin A. Lemkul
[gmx-users] Optimal Hardware for Gromacs Igor Leontyev
[gmx-users] g_sas Chih-Ying Lin
[gmx-users] DSSP => how to edit .eps file Chih-Ying Lin
[gmx-users] DSSP=> how to edit .eps file Chih-Ying Lin
[gmx-users] g_sas Chih-Ying Lin
[gmx-users] DSSP=> how to edit .eps file Chih-Ying Lin
[gmx-users] g_sas Chih-Ying Lin
[gmx-users] g_sas Chih-Ying Lin
[gmx-users] DSSP=> how to edit .eps file Chih-Ying Lin
[gmx-users] g_sas => micelle ? Chih-Ying Lin
[gmx-users] g_sas => protein and ligand aggregate interface area ? Chih-Ying Lin
[gmx-users] g_sas -pbc ??? Chih-Ying Lin
[gmx-users] Lateral pressure profile in membrane simulations Martti Louhivuori
[gmx-users] CG-MD simulation of protein, always crash with protein Martti Louhivuori
[gmx-users] CG-MD simulation of protein, always crash with protein Martti Louhivuori
[gmx-users] problem with NVE ensemble simulation with Martini lipid Sanku M
[gmx-users] how to calculate diffusion constant of the entire lipid-bilayer Sanku M
[gmx-users] query on constraint-force pull code Sanku M
[gmx-users] free energy : query on constraint force pull code Sanku M
[gmx-users] large oscillation in mean force with constraint Sanku M
[gmx-users] g_wham gets stuck Amir Marcovitz
[gmx-users] g_wham gets stuck Amir Marcovitz
[gmx-users] Problem with Charmm in gromacs Fabrizio Marinelli
[gmx-users] Problem with Charmm in gromacs Fabrizio Marinelli
[gmx-users] Problem in the gromacs git version Fabrizio Marinelli
[gmx-users] Problem in the gromacs git version Fabrizio Marinelli
[gmx-users] Problem in the gromacs git version Fabrizio Marinelli
[gmx-users] Problem in the gromacs git version: SOURCE FOUND Fabrizio Marinelli
[gmx-users] NVE mdp Erik Marklund
[gmx-users] about H-Bonds g_hbond Erik Marklund
[gmx-users] (no subject) Erik Marklund
[gmx-users] about H-Bonds g_hbond Erik Marklund
[gmx-users] Potential Tables for user defined potentials Sikandar Mashayak
[gmx-users] Potential Tables for user defined potentials Sikandar Mashayak
[gmx-users] Segmentation fault with gromacs executables Sikandar Mashayak
[gmx-users] Problem using trjconv and g_potential Manik Mayur
[gmx-users] Hybrid MD-MC Michael McGovern
[gmx-users] Trehalose RTP file trouble Michael McGovern
[gmx-users] g_wham giving flat free energy Michael McGovern
[gmx-users] Problems with g_energy Gavin Melaugh
[gmx-users] Problems with g_energy Gavin Melaugh
[gmx-users] Problems with g_energy Gavin Melaugh
[gmx-users] Size of generating data Milan Melichercik
[gmx-users] an energy minimization question, working with H-BONDS Miguel Quiliano Meza
[gmx-users] Fe+2 not found in forcefield ffG43a1 Miguel Quiliano Meza
[gmx-users] interaction parameter, polyolefin solution, ternary system Moeed
[gmx-users] grompp, energy minimization,, output file error Moeed
[gmx-users] Hydrocarbon system, help on mdp setting +output file Moeed
[gmx-users] preprocessing in position restrained step, problem with binary top file Moeed
[gmx-users] preprocessing in position restrained step Moeed
[gmx-users] segmentation fault in position restrained step Moeed
[gmx-users] Lincs warning Moeed
[gmx-users] unstability of system, lincs problem Moeed
[gmx-users] How to reduce high repulsion from system? Moeed
[gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3 Sebastien Morin
[gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3 Sebastien Morin
[gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3 Sebastien Morin
[gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3 Chris Neale
[gmx-users] X's in the ffcharmm27bon.itp force field Lum Nforbi
[gmx-users] Parameters for AOT molecule/Too few parameters on line Lum Nforbi
[gmx-users] Re: Parameters for AOT molecule/Too few parameters on line Lum Nforbi
[gmx-users] Topology and force fields Lum Nforbi
[gmx-users] Atom Type not found............ PAVAN PAYGHAN
[gmx-users] TIP3P water box Andrew Paluch
[gmx-users] modifying source code Sang-Won Park
[gmx-users] Regarding inflategro.pl Jignesh Patel
[gmx-users] Regarding Error "Atomtype OS not found" Jignesh Patel
[gmx-users] Re: Regarding Error "Atom type OS not found" Jignesh Patel
[gmx-users] How to remove overlapping lipid residues? Jignesh Patel
[gmx-users] Cutoff value during lipid shrinking using inflategro.pl script Jignesh Patel
[gmx-users] link gromacs i7 XAvier Periole
[gmx-users] coarse-grained model of POPC in Martini coarse-grained force field? XAvier Periole
[gmx-users] Lateral pressure profile in membrane simulations XAvier Periole
[gmx-users] Fwd: small help XAvier Periole
[gmx-users] combining energy files XAvier Periole
[gmx-users] Question about setting deprotonated cys in enzyme structure .... XAvier Periole
[gmx-users] Re: small help XAvier Periole
[gmx-users] Hydrogens missing during parameterization XAvier Periole
[gmx-users] Hydrogens missing during parameterization XAvier Periole
[gmx-users] Hydrogens missing during parameterization XAvier Periole
[gmx-users] how to calculate diffusion constant of the entire lipid-bilayer XAvier Periole
[gmx-users] Time for equilibration XAvier Periole
[gmx-users] How to remove overlapping lipid residues? XAvier Periole
[gmx-users] Time for equilibration XAvier Periole
[gmx-users] CG-MD simulation of protein, always crash with protein XAvier Periole
[gmx-users] slow speed XAvier Periole
[gmx-users] Re: slow speed XAvier Periole
[gmx-users] Dihedral potentials XAvier Periole
[gmx-users] Dihedral potentials XAvier Periole
[gmx-users] conversion of desmond trajectory files into gromacs XAvier Periole
[gmx-users] conversion of desmond trajectory files into gromacs XAvier Periole
[gmx-users] conversion of desmond trajectory files into gromacs XAvier Periole
[gmx-users] CG-MD simulation of protein, always crash with protein XAvier Periole
[gmx-users] CG-MD simulation of protein, always crash with protein XAvier Periole
[gmx-users] Finishing time donot showing XAvier Periole
[gmx-users] Finishing time donot showing XAvier Periole
[gmx-users] Finishing time donot showing XAvier Periole
[gmx-users] High quality movies, bmp frames and videomach=poor quality XAvier Periole
[gmx-users] potential calculation XAvier Periole
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box XAvier Periole
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box XAvier Periole
[gmx-users] implicit solvent simulation in gromacs XAvier Periole
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box XAvier Periole
[gmx-users] Constrained simulations crash when bilayer moves in the z direction in the box XAvier Periole
[gmx-users] unstability of system, lincs problem XAvier Periole
[gmx-users] parallel simulation in dual core PC Arden Perkins
[gmx-users] potential calculation Peicho Petkov
[gmx-users] parametrization of FAD Thomas Piggot
[gmx-users] parametrization of FAD Thomas Piggot
[gmx-users] calculation of potential and Sg Paymon Pirzadeh
[gmx-users] Directional calculation Sg and Potential Paymon Pirzadeh
[gmx-users] Free Energy Calculations for linkage change Sai Kumar Ramadugu
[gmx-users] Free Energy Calculations for linkage change in disaccharide Sai Kumar Ramadugu
[gmx-users] Large dVpot/dlamda values at lambda = 1 Sai Kumar Ramadugu
[gmx-users] converting parmbsc0 dihedrals to RB function Vigneshwar Ramakrishnan
[gmx-users] converting parmbsc0 dihedrals to RB function Vigneshwar Ramakrishnan
[gmx-users] link gromacs i7 Maurício Menegatti Rigo
[gmx-users] h_bond error Maurício Menegatti Rigo
[gmx-users] h_bond error Maurício Menegatti Rigo
[gmx-users] G_gyrate doubt Maurício Menegatti Rigo
[gmx-users] Ensemble Averaging Arthur Roberts
[gmx-users] Ensemble averaging between two proteins in the same box. Arthur Roberts
[gmx-users] I noticed implicit_solvent in the mdout.mdp. Is it going to be implemented soon? Arthur Roberts
[gmx-users] 64-bit gromacs-4.0.7 for Mac OSX J. Rui Rodrigues
[gmx-users] 64-bit gromacs-4.0.7 for Mac OSX J. Rui Rodrigues
[gmx-users] 64-bit gromacs-4.0.7 for Mac OSX J. Rui Rodrigues
[gmx-users] how to get averaged coordinates for a residue in a time interval? Wu Rongqin
[gmx-users] about ending basepairs in DNA simulation Wu Rongqin
答复: [gmx-users] about ending basepairs in DNA simulation Wu Rongqin
[gmx-users] Potential Tables for user defined potentials sulatha M. S
[gmx-users] Simulation of only Lipid Bilayer Saumya
[gmx-users] Simulation of ONLY Lipid Bilayer Saumya
[gmx-users] Re: pull distance Thomas Schlesier
Re: 回复： [gmx-users] Re Can GROMACs use multiple van der Waals potentials and multiple van der Waals potential cutoffs? Roland Schulz
[gmx-users] gromacs, lam and condor Roland Schulz
[gmx-users] gromacs 4.0 on CRAY-XT4 Roland Schulz
[gmx-users] CHARMM to GROMACS perl scripts Roland Schulz
[gmx-users] isntall problem of ngmx Roland Schulz
[gmx-users] conversion of desmond trajectory files into gromacs Roland Schulz
[gmx-users] conversion of desmond trajectory files into gromacs Roland Schulz
[gmx-users] Problem in the gromacs git version: SOURCE FOUND Roland Schulz
[gmx-users] gromacs Liu Shiyong
[gmx-users] Re: gromacs Liu Shiyong
[gmx-users] No Temperature Coupling to protein Ricardo O. S. Soares
[gmx-users] Re: No Temperature Coupling to protein (Justin A. Lemkul) Ricardo O. S. Soares
[gmx-users] header intact Sepideh Soltani
[gmx-users] Fwd: help Sepideh Soltani
[gmx-users] Fwd: moleculetype CU1+ is redefined Sepideh Soltani
[gmx-users] Can gromacs be compiled for "openmp" David van der Spoel
[gmx-users] g_sas David van der Spoel
[gmx-users] DSSP => how to edit .eps file David van der Spoel
[gmx-users] DSSP=> how to edit .eps file David van der Spoel
[gmx-users] g_sas David van der Spoel
[gmx-users] g_sas David van der Spoel
[gmx-users] xml David van der Spoel
[gmx-users] Optimal Hardware for Gromacs David van der Spoel
[gmx-users] gromacs, lam and condor Oliver Stueker
[gmx-users] OPSLAA parameters for sulphate ion Subhrangshu Supakar
[gmx-users] Histrionic answers doesn't help! Jared James Thompson
[gmx-users] Problem with tabulated potentials Jhony Tolengo
[gmx-users] Histrionic answers doesn't help! Jhony Tolengo
[gmx-users] CG-MD simulation of protein, always crash with protein Trang
[gmx-users] CG-MD simulation of protein, always crash with protein Trang
[gmx-users] CG-MD simulation of protein, always crash with protein Trang
[gmx-users] CG-MD simulation of protein, always crash with protein Trang
[gmx-users] CG-MD simulation of protein, always crash with protein Trang
[gmx-users] custom forcefields or a new forcefields Gareth Tribello
[gmx-users] custom forcefields or a new forcefields Gareth Tribello
[gmx-users] Potential Tables for user defined potentials Gareth Tribello
[gmx-users] Topology and force fields Gareth Tribello
[gmx-users] Problem with tabulated potentials for 3 different atoms Gareth Tribello
[gmx-users] Tabulated potentials Gareth Tribello
[gmx-users] how to choose rlist and cutoffs Robin C. Underwood
[gmx-users] Simulation of only Lipid Bilayer Arun kumar V
[gmx-users] Simulation of only Lipid Bilayer Arun kumar V
[gmx-users] Potein-protein complex simulations Lucio Ricardo Montero Valenzuela
[gmx-users] GROMACS reproducibility Lucio Ricardo Montero Valenzuela
[gmx-users] 'SHAKE' : gromacs 4.0.7 Lucio Ricardo Montero Valenzuela
[gmx-users] help Lucio Ricardo Montero Valenzuela
[gmx-users] Problem with tabulated potentials for 3 different atoms Martin Vartorelli
[gmx-users] Problem with tabulated potentials for 3 different atoms Martin Vartorelli
[gmx-users] Tabulated potentials Martin Vartorelli
[gmx-users] periodic boundary box Qian Wang
[gmx-users] Lateral pressure profile in membrane simulations Dallas B. Warren
[gmx-users] energy minimization in charged systems Dallas B. Warren
[gmx-users] help Dallas B. Warren
[gmx-users] warning when process the files with grompp Dallas B. Warren
[gmx-users] grompp, energy minimization,, output file error Dallas B. Warren
[gmx-users] how to get averaged coordinates for a residue in a time interval? Tsjerk Wassenaar
[gmx-users] Lindemann parameter Tsjerk Wassenaar
[gmx-users] g_sas => protein and ligand aggregate interface area ? Tsjerk Wassenaar
[gmx-users] Joining two peptide chains Tsjerk Wassenaar
[gmx-users] Trehalose RTP file trouble Tsjerk Wassenaar
[gmx-users] Finishing time donot showing Tsjerk Wassenaar
[gmx-users] Magic error xtc? Tsjerk Wassenaar
[gmx-users] insert silicon atoms into ice structure Santan William
[gmx-users] Re: insert silicon atoms into ice structure Santan William
[gmx-users] Re: insert silicon atoms into ice structure (Justin A. Lemkul) Santan William
[gmx-users] how to make ice crystal by TIP4P, TIP5P water model Santan William
[gmx-users] reference for gromos 87 within PRODRG Jennifer Williams
[gmx-users] High quality movies, bmp frames and videomach=poor quality Jennifer Williams
[gmx-users] two reference groups in pull code BIN ZHANG
[gmx-users] two reference groups in pull code BIN ZHANG
[gmx-users] genbox fahimeh bafti
[gmx-users] genbox fahimeh bafti
[gmx-users] genbox fahimeh bafti
回复：回复： [gmx-users] Re Can GROMACs use multiple van der Waals potentials and multiple van der Waals potential cutoffs? hong bingbing
[gmx-users] conversion of desmond trajectory files into gromacs ram bio
[gmx-users] conversion of desmond trajectory files into gromacs ram bio
[gmx-users] Force output ilona.baldus at bioquant.uni-heidelberg.de
[gmx-users] energy is coming "nan" sarbani chattopadhyay
[gmx-users] Re:Re: g_nmeig_d error:cannot allocate region sarbani chattopadhyay
[gmx-users] g_nmeig_d error sarbani chattopadhyay
[gmx-users] can't see bonds between my CG beads in VMD swapnil chavan
[gmx-users] help udaya dahal
[gmx-users] Protein is having non-integral charge sonali dhindwal
[gmx-users] non-integral charge on my modeled protein structure sonali dhindwal
[gmx-users] non-integral charge on my modeled protein structure sonali dhindwal
[gmx-users] Time for equilibration sonali dhindwal
[gmx-users] Time for equilibration sonali dhindwal
[gmx-users] pull distance milad ekramnia
[gmx-users] How to prepare the two tolopogy files when doing TI calculation? fancy2012
[gmx-users] Re: How to prepare the two tolopogy files when doing TI calculation? fancy2012
[gmx-users] Random Accelerator Molecular Dynamics babu gokul
[gmx-users] about H-Bonds g_hbond babu gokul
[gmx-users] water box with prescribed volume and density grivet
[gmx-users] output in gromos format grivet
[gmx-users] Re : keeping the protein in the centre of the simulation box. bharat gupta
[gmx-users] help shikhar gupta
[gmx-users] help(Free Energy) shikhar gupta
[gmx-users] converting parmbsc0 dihedrals to RB function gportel at gwdg.de
[gmx-users] Re: converting parmbsc0 dihedrals to RB function gportel at gwdg.de
[gmx-users] load imbalance jayant james
[gmx-users] Simulating a metal slab radhika jaswal
[gmx-users] simulated annealing leila karami
[gmx-users] simulated annealing leila karami
[gmx-users] simulated annealing leila karami
[gmx-users] simulated annealing leila karami
[gmx-users] simulated annealing leila karami
[gmx-users] mdsimulation of drug enzyme complex abhijit kayal
[gmx-users] mdsimulation of drug enzyme complex abhijit kayal
[gmx-users] mdsimulation of drug enzyme complex abhijit kayal
[gmx-users] query about generation of 2D histogram sangeeta kundu
[gmx-users] the LINCS and SETTLE constraint connection matrices are mass weighted lina
[gmx-users] Can gromacs be compiled for "openmp" lina
[gmx-users] Re: configure error lina
[gmx-users] loab imbalance. lina
[gmx-users] Re: loab imbalance lina
[gmx-users] RE: Re: loab imbalance lina
[gmx-users] RE: Re: loab imbalance lina
[gmx-users] Re: loab imbalance lina
[gmx-users] Re: Re: loab imbalance lina
[gmx-users] Re: Re: loab imbalance lina
[gmx-users] Re: loab imbalance lina
[gmx-users] mutation to/from proline afsaneh maleki
[gmx-users] dssp FATAL ERROR. vivek modi
[gmx-users] Re: gmx-users Digest, Vol 72, Issue 21 vivek modi
[gmx-users] problem with total energy ms
[gmx-users] (no subject) vani ms
[gmx-users] help vani ms
[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes rasoul nasiri
[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes rasoul nasiri
[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes rasoul nasiri
[gmx-users] How can I maintain a distance of at least 0.5 nm from each other of solutes rasoul nasiri
[gmx-users] Visualization of .trr problem in VMD shahid nayeem
[gmx-users] Visualization of .trr problem in VMD shahid nayeem
[gmx-users] position_restraint anfd full Dynamics and berendsen Nose hoover Thermostat shahid nayeem
[gmx-users] position_restraint anfd full Dynamics and berendsen Nose hoover Thermostat shahid nayeem
[gmx-users] (no subject) shahid nayeem
[gmx-users] genbox shahid nayeem
[gmx-users] more than one peptide in one simulation box shahid nayeem
[gmx-users] more than one peptide in one simulation box shahid nayeem
[gmx-users] more than one peptide in one simulation box shahid nayeem
[gmx-users] more than one peptide in one simulation box shahid nayeem
[gmx-users] more than one peptide in one simulation box shahid nayeem
[gmx-users] Problem with g_density prithvi raj pandey
[gmx-users] InflateGRO and pentamer protein simulation shayamra at post.tau.ac.il
[gmx-users] Potein-protein complex simulations pawan raghav
[gmx-users] simulated annealing (SA) shahab shariati
[gmx-users] simulated annealing (SA) shahab shariati
[gmx-users] simulated annealing (SA) shahab shariati
[gmx-users] simulated annealing (SA) shahab shariati
[gmx-users] simulated annealing (SA) shahab shariati
[gmx-users] help regarding gromacs harish sharma
[gmx-users] install problem of ngmx. kecy_wu at sina.com
[gmx-users] hou to Construct the oil/water interface kecy_wu at sina.com
[gmx-users] How to deal with the top files kecy_wu at sina.com
[gmx-users] isntall problem of ngmx kecy_wu at sina.com
[gmx-users] install problem of ngmx kecy_wu at sina.com
[gmx-users] install problem of ngmx kecy_wu at sina.com
[gmx-users] How to change the resname? kecy_wu at sina.com
[gmx-users] How to set the density of the box? kecy_wu at sina.com
[gmx-users] TIP3P water box kecy_wu at sina.com
[gmx-users] How to use the walls kecy_wu at sina.com
[gmx-users] warning when process the files with grompp kecy_wu at sina.com
[gmx-users] the error for 2D periodic boundary kecy_wu at sina.com
[gmx-users] SMD simulations stops without error toby10222224 at sina.com
[gmx-users] continuous energy increase in NVT and NVE simulations jampani srinivas
[gmx-users] problem with the size of freeze groups jampani srinivas
[gmx-users] problem with total energy jampani srinivas
[gmx-users] problem with total energy jampani srinivas
[gmx-users] problem with total energy jampani srinivas
[gmx-users] problem with total energy jampani srinivas
[gmx-users] problem with total energy jampani srinivas
[gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations jampani srinivas
[gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations jampani srinivas
[gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations jampani srinivas
[gmx-users] RE: [Bug 404] energy increase in nvt and nve simiulations jampani srinivas
[gmx-users] make_edi vijaya subramanian
[gmx-users] make_edi, more info vijaya subramanian
[gmx-users] make_edi vijaya subramanian
[gmx-users] make_edi, g_covar -nofit vijaya subramanian
[gmx-users] Solvent addition teklebrh at ualberta.ca
[gmx-users] Problem with g_density chris.neale at utoronto.ca
[gmx-users] two reference groups in pull code chris.neale at utoronto.ca
[gmx-users] Concerns with g_wham chris.neale at utoronto.ca
[gmx-users] Compiling Gromacs 4.0.7 on AIX 5.3 chris.neale at utoronto.ca
[gmx-users] density tip3p nishap.patel at utoronto.ca
[gmx-users] combining energy files nishap.patel at utoronto.ca
[gmx-users] combining energy files nishap.patel at utoronto.ca
[gmx-users] Magic error xtc? nishap.patel at utoronto.ca
[gmx-users] Magic error xtc? nishap.patel at utoronto.ca
[gmx-users] Magic error xtc? nishap.patel at utoronto.ca
[gmx-users] Hard Sphere? nishap.patel at utoronto.ca
[gmx-users] how to use altivec on power6 cpu shuqi zhao
[gmx-users] how to use altivec on power6 cpu shuqi zhao
[gmx-users] coarse-grained model of POPC in Martini coarse-grained force field? xi zhao
[gmx-users] InflateGRO and pentamer protein simulation xi zhao
[gmx-users] InflateGRO and pentamer protein simulation xi zhao
[gmx-users] InflateGRO and pentamer protein simulation xi zhao
[gmx-users] construct CG membrane protein and CG membrane and inflategro.pl xi zhao
[gmx-users] construct CG membrane protein and CG membrane and inflategro.pl xi zhao
[gmx-users] construct CG membrane protein and CG membrane and inflategro.pl xi zhao
[gmx-users] construct CG membrane protein and CG membrane and inflategro.pl xi zhao
[gmx-users] remove from mailing list you zou
[gmx-users] distance restrainrts problem Павел Кудрявцев
[gmx-users] Is there sth. wrong with my pull code? 程迪
[gmx-users] constraint pull code causes crash 程迪
[gmx-users] Had anybody modied the source code of gromacs 聂雪川
[gmx-users] The problems of controling one atom through modify gromacs sourse code 聂雪川
[gmx-users] Re: Re: The problems of controling one atom through modifygromacs 聂雪川

Last message date: Fri Apr 30 22:33:58 CEST 2010
Archived on: Thu Nov 14 12:08:32 CET 2013

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