September 2006 Archives by author

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Starting: Fri Sep 1 06:40:38 CEST 2006
Ending: Sat Sep 30 18:26:12 CEST 2006
Messages: 497

[gmx-users] the gmxdump reveals less parameters than i expect Mu Yuguang (Dr)
[gmx-users] CHARMM force field implementation in Gromacs : conversion of periodic into Ryckaert-Bellemans parameters. Mu Yuguang (Dr)
[gmx-users] Hi... Mu Yuguang (Dr)
[gmx-users] [Fwd: gen_seed GROMACS] Mark Abraham
[gmx-users] OPLS + ffgmx Mark Abraham
[gmx-users] Charge calculation in Gromacs Mark Abraham
[gmx-users] Coulomb 1-4 interactions Mark Abraham
[gmx-users] can the GMX model the monolayer frict ion ? Mark Abraham
[gmx-users] LINCS warning Mark Abraham
[gmx-users] lincs regular output Mark Abraham
SV: Re: [gmx-users] constraint distance Mark Abraham
[gmx-users] genion causing atom to be in multiple T-Coupling groups Mark Abraham
[gmx-users] CHARMM force field implementation in Gromacs : conversion of periodic into Ryckaert-Bellemans parameters. Mark Abraham
[gmx-users] CHARMM force field implementation in Gromacs : retrieval of bonded/non-bonded parameters Mark Abraham
[gmx-users] does the conformation cause this error? Mark Abraham
[gmx-users] problems in installing fftw-3.0.1 under cygwin Mark Abraham
[gmx-users] Re: Question about parallazing Gromacs (Qiao Baofu) Mark Abraham
[gmx-users] on restricted MD Mark Abraham
[gmx-users] Re: Question about parallazing Gromacs (Qiao Baofu) Mark Abraham
[gmx-users] why the backbone can be broken during MD process Mark Abraham
[gmx-users] Question about use of tpbconv Mark Abraham
[gmx-users] CHARMM force field implementation in Gromacs : Mark Abraham
[gmx-users] bond lost! Mark Abraham
[gmx-users] Re: Using ACE and NAC with oplsaa Mark Abraham
[gmx-users] bond-bond and bond-angle cross terms Mark Abraham
[gmx-users] The molecule size Mark Abraham
[gmx-users] bond lost (II) Mark Abraham
[gmx-users] r.m.s.i.p Mark Abraham
[gmx-users] velocities Mark Abraham
[gmx-users] Gromacs install question Mark Abraham
[gmx-users] single point calculation Mark Abraham
[gmx-users] Re: The molecule size (jiqing) Mark Abraham
[gmx-users] Re: protein unstable for parallel job while stable for serial one Mark Abraham
[gmx-users] VAL group Mark Abraham
[gmx-users] Re: The molecule size (jiqing) Mark Abraham
[gmx-users] calculate the interaction energy between different parts of protein Mark Abraham
[gmx-users] Lipid simulations Mark Abraham
[gmx-users] question about energy and pressure Mark Abraham
[gmx-users] g_confrms_d Mark Abraham
[gmx-users] How can I remove water and ion molecules Mark Abraham
[gmx-users] Covalent bonds between topology files Mark Abraham
[gmx-users] g_rms, matrix and raw data Mark Abraham
[gmx-users] surface tension Mark Abraham
[gmx-users] Covalent bonds between topology files Mark Abraham
[gmx-users] Regarding preparation of .itp file for a new molecule Mark Abraham
[gmx-users] contact Mark Abraham
[gmx-users] g_cluster -dm Mark Abraham
[gmx-users] defining new residues? Mark Abraham
[gmx-users] cardiolipin / Cytochrome C Mark Abraham
[gmx-users] HBond frequency Mark Abraham
[gmx-users] Problem reading large file in g_covar Sridhar Acharya
[gmx-users] Problem reading large file in g_covar Sridhar Acharya
[gmx-users] problems in installing fftw-3.0.1 under cygwin Carlos Javier Nuñez Aguero
[gmx-users] problems in installing fftw-3.0.1 under cygwin Carlos Javier Nuñez Aguero
[gmx-users] Free energy calculations Carlos Javier Nuñez Aguero
[gmx-users] mdrun_hole problem again ..SOLVED..THANKS..... Alok
[gmx-users] OPLS + ffgmx Alok
[gmx-users] OPLS + ffgmx Alok
[gmx-users] 1-4 columb interaction Alok
[gmx-users] 1-4 columb interaction Alok
[gmx-users] 1-4 columb interaction Alok
[gmx-users] AFM pulling Ariel Alvarez
[gmx-users] gromacs with altix and mpich Ricardo Amorim
[gmx-users] Nitrate ion Alexandre Suman de Araujo
[gmx-users] Problems in bonded parameters for nitrate with OPLS in GROMACS Alexandre Suman de Araujo
[gmx-users] Re: Question about parallazing Gromacs (Qiao Baofu) Cesar Araujo
[gmx-users] Re: Re: Re: Question about parallazing Gromacs Cesar Araujo
[gmx-users] Re: gmx-users Digest, Vol 29, Issue 49 Cesar Araujo
[gmx-users] g_msd Arneh Babakhani
[gmx-users] make_hole vs. genconf Arneh Babakhani
[gmx-users] make_hole vs. genconf Arneh Babakhani
[gmx-users] Minimization Issue - membrane inverted and system copied Arneh Babakhani
[gmx-users] Minimization Issue - membrane inverted and system copied Arneh Babakhani
[gmx-users] configuration of system for small molecule crystal simulations Vik Bajaj
[gmx-users] How can I remove water and ion molecules Kia Balali-Mood
[gmx-users] change number of processors after tpbconv Carsten Baldauf
[gmx-users] change number of processors after tpbconv Carsten Baldauf
[gmx-users] Question about angle constraints Qiao Baofu
[gmx-users] Question about parallazing Gromacs Qiao Baofu
[gmx-users] how to write a annealing .mdp Qiao Baofu
[gmx-users] Re: Question about parallazing Gromacs (Qiao Baofu) Qiao Baofu
[gmx-users] Re: Re: Re: Question about parallazing Gromacs Qiao Baofu
[gmx-users] Re: Question about parallazing Gromacs (Qiao Baofu) Qiao Baofu
[gmx-users] Re: question about g_rdf -com & a little mistake on make_ndx Qiao Baofu
[gmx-users] Gromacs install question Qiao Baofu
[gmx-users] question about energy and pressure Qiao Baofu
[gmx-users] 1-4 columb interaction Qiao Baofu
[gmx-users] question about energy and pressure Qiao Baofu
[gmx-users] question about energy and pressure Qiao Baofu
[gmx-users] Re: Query on Gromacs-CPMD QMMM Interface Pradip K Biswas
[gmx-users] Re: Gromacs-CPMD: QMMM Pradip Kumar Biswas
[gmx-users] running CPMD with GROMACS interface in SGI irix 6.5 Pradip Kumar Biswas
[gmx-users] running CPMD with GROMACS interface in SGI irix 6.5 Pradip Kumar Biswas
[gmx-users] running CPMD with GROMACS interface in SGI irix 6.5 Pradip Kumar Biswas
[gmx-users] missing atom in .rpb: fatal error in pdb2gmx Una Bjarnadottir
[gmx-users] genion causing atom to be in multiple T-Coupling groups Una Bjarnadottir
[gmx-users] genion causing atom to be in multiple T-Coupling groups Una Bjarnadottir
[gmx-users] Re: genion causing atom to be in multiple T-Coupling groups Una Bjarnadottir
[gmx-users] AFM pull and ensembles MURAT CETINKAYA
[gmx-users] Viscosity in PE Esther Caballero-Manrique
[gmx-users] Free energy calculations Esther Caballero-Manrique
[gmx-users] bond-bond and bond-angle cross terms Camilo Calderon
[gmx-users] TFE .gro files Copps, Jeffrey
[gmx-users] RE: gmx-users Digest, Vol 29, Issue 23 Copps, Jeffrey
[gmx-users] MPI version on parallelknoppix live CD Michael Creel
[gmx-users] make_hole vs. genconf Alan Dodd
[gmx-users] Lipid Bilayer Simulations Alan Dodd
[gmx-users] g_traj -ng not working with option -ng Jon Ellis
SV: Re: [gmx-users] constraint distance Soren Enemark
SV: Re: SV: Re: [gmx-users] constraint distance Soren Enemark
[gmx-users] on restricted MD Fan, Fenghui
[gmx-users] Intial velocity Fan, Fenghui
[gmx-users] why the backbone can be broken during MD process Fan, Fenghui
[gmx-users] merger ligand and protein to constriant Fan, Fenghui
[gmx-users] r.m.s.i.p Fan, Fenghui
[gmx-users] Gromacs install question Fan, Fenghui
[gmx-users] CVS password Alvaro Fernandez
[gmx-users] Recover corrupted files from DVD Nuno Ricardo Loureiro Ferreira
[gmx-users] Recover corrupted files from DVD Nuno Ricardo Loureiro Ferreira
[gmx-users] Internal coordinates to the topology Eudes Fileti
[gmx-users] Internal coordinates to the topology Eudes Fileti
[gmx-users] Buckingham model for liquid of water Eudes Fileti
[gmx-users] REMD Samuel C Flores
[gmx-users] Which POPC Bilayer to start? Jim Fonseca
[gmx-users] binding free energy calculations on charged ligands Diane Fournier
[gmx-users] Installation of Gromacs into BG/L Hiroshi Fujisaki
[gmx-users] Installation of Gromacs into BG/L Hiroshi Fujisaki
[gmx-users] execution of water tutorial files on BG/L Hiroshi Fujisaki
[gmx-users] execution of water tutorial files on BG/L Hiroshi Fujisaki
[gmx-users] execution of water tutorial files on BG/L Hiroshi Fujisaki
[gmx-users] execution of water tutorial files on BG/L Hiroshi Fujisaki
[gmx-users] velocities Prasad Gajula
[gmx-users] Re: velocities (gmx-users Digest, Vol 29, Issue 60) Prasad Gajula
[gmx-users] Re:velocities Prasad Gajula
[gmx-users] Free energy, frozen atoms and exclusions Ignacio Fernández Galván
[gmx-users] Free energy, frozen atoms and exclusions Ignacio Fernández Galván
[gmx-users] Free energy for charged molecules Ignacio Fernández Galván
[gmx-users] Free energy for charged molecules Ignacio Fernández Galván
[gmx-users] g_confrms_d Arindam Ganguly
[gmx-users] Possible Bug GROMACS 3.3.1 - NMA Maik Goette
[gmx-users] Possible Bug GROMACS 3.3.1 - NMA Maik Goette
[gmx-users] problem with dimer simulation ! Kay Gottschalk
[gmx-users] How can I remove water and ion molecules Gerrit Groenhof
[gmx-users] QMMM interface Gerrit Groenhof
[gmx-users] g_rotacf Rama Gullapalli
[gmx-users] g_rotacf Rama Gullapalli
[gmx-users] g_rotacf Rama Gullapalli
[gmx-users] g_rotacf again Rama Gullapalli
[gmx-users] mdrun_hole problem Florian Haberl
[gmx-users] analyses of g_hbond Florian Haberl
[gmx-users] amber ff and cpp error message Florian Haberl
[gmx-users] amber ff and cpp error message Florian Haberl
[gmx-users] merge ligand and protein Florian Haberl
[gmx-users] CVS password Florian Haberl
[gmx-users] Question about parallazing Gromacs Florian Haberl
[gmx-users] Re: Question about parallazing Gromacs (Qiao Baofu) Florian Haberl
[gmx-users] Installation of Gromacs into BG/L Florian Haberl
[gmx-users] execution of water tutorial files on BG/L Florian Haberl
[gmx-users] Question about use of tpbconv Joanne Hanna
[gmx-users] Changing output frequency when doing a continuation with tpbconv Joanne Hanna
[gmx-users] LIE energy calculation! Mikko Hellgren
[gmx-users] g_lie restraints, neutral ?? Mikko Hellgren
[gmx-users] about AFM pulling of one complex of two proteins Jerome Henin
[gmx-users] Viscosity in PE Berk Hess
[gmx-users] Viscosity in PE Berk Hess
[gmx-users] Free energy, frozen atoms and exclusions Berk Hess
[gmx-users] A method to scale Coulombic 1-4 interactions seperately Berk Hess
[gmx-users] The right way of killing Gromacs Berk Hess
[gmx-users] distance restraints: -merge Berk Hess
[gmx-users] Splitting one run Martin Höfling
[gmx-users] unsubscribe JMiranda
[gmx-users] job opportunity Eric Jakobsson
[gmx-users] hydrocarbon force fields Eric Jakobsson
[gmx-users] File input/output error: Can not determine precision of trn file Bob Johnson
[gmx-users] Regarding preparation of .itp file for a new molecule ARUN KUMAR
[gmx-users] trjconv for hexa-meric protein Tomoshi Kameda
[gmx-users] defining new residues? Rahul B Kasat
[gmx-users] why the mdrun stop Itamar Kass
[gmx-users] Energy minimization problem with macromolecule and polarizable water model Steven Kirk
[gmx-users] defining 2 posres at a time in mdp Dilraj Lama
[gmx-users] n-hexadecane simulation Frederic Leroy
[gmx-users] problems in installing fftw-3.0.1 under cygwin Wilfred Li
[gmx-users] problem with dimer simulation ! C.W. Liang
[gmx-users] Re: problem with dimer simulation ! C.W. Liang
[gmx-users] Re: problem with dimer simulation ! C.W. Liang
[gmx-users] a problem about Coul-LR in energy groups output. Coul-LR is always ZERO ! Dai Liang
[gmx-users] "deprecated" Erik Lindahl
[gmx-users] The right way of killing Gromacs Erik Lindahl
[gmx-users] about AFM pulling of one complex of two proteins Wang Ling
[gmx-users] Gromacs Surface tension Pedro Alexandre Lapido Loureiro
[gmx-users] density map Pedro Alexandre Lapido Loureiro
[gmx-users] Buckingham model for liquid of water Paul van Maaren
[gmx-users] g_order C code Erik Marklund
[gmx-users] g_order C code Erik Marklund
[gmx-users] g_order C code Erik Marklund
[gmx-users] bonds Erik Marklund
[gmx-users] Recover corrupted files from DVD Erik Marklund
[gmx-users] HBond frequency Erik Marklund
[gmx-users] HBond frequency Erik Marklund
[gmx-users] Viscosity in PE Alessandro Mattozzi
[gmx-users] Viscosity in PE Alessandro Mattozzi
[gmx-users] radial densities Milan Melichercik
[gmx-users] Continue run Milan Melichercik
[gmx-users] Question about parallazing Gromacs Milan Melichercik
[gmx-users] Question about scaling charges David Mobley
[gmx-users] Question about frozen group: David Mobley
[gmx-users] wham question David Mobley
SV: Re: [gmx-users] constraint distance David Mobley
[gmx-users] constraint distance between ligand and protein David Mobley
[gmx-users] Free energy for charged molecules David Mobley
[gmx-users] Free energy for charged molecules David Mobley
[gmx-users] Re: water molecules in vacuum simulation David Mobley
[gmx-users] Zn ion as a metal center in a protein: setting distance restraints Luca Mollica
[gmx-users] Lipid Bilayer Simulations Luca Mollica
[gmx-users] g_traj -ng not working with option -ng Moore, Jonathan (J)
[gmx-users] g_traj -ng not working with option -ng Moore, Jonathan (J)
[gmx-users] problem with dimer simulation ! Daniela S. Mueller
[gmx-users] wham question Manohar Murthi
[gmx-users] umbrella sampling pull.pdo output Manohar Murthi
[gmx-users] Re: umbrella sampling pull.pdo output Manohar Murthi
[gmx-users] LINCS warning Daniela S. Müller
[gmx-users] Co-variance Analysis N.Goga
[gmx-users] Re: gmx-users Digest, Vol 29, Issue 86 Jason O'Young
[gmx-users] VAL group Owen, Michael
[gmx-users] VAL group Owen, Michael
[gmx-users] VAL group Owen, Michael
[gmx-users] distance restraints: -merge Owen, Michael
[gmx-users] Question about frozen group: Jae Hyun Park
[gmx-users] Question about frozen group: Jae Hyun Park
[gmx-users] n-hexadecane simulation Jae Hyun Park
[gmx-users] re: n-hexadecane simulation Jae Hyun Park
[gmx-users] DPPC Bilayer Size Akshay Patny
[gmx-users] Which POPC Bilayer to start? Akshay Patny
[gmx-users] Which POPC Bilayer to start? Akshay Patny
[gmx-users] How can I remove water and ion molecules Guillem Portella
[gmx-users] Making small molecule topology files Arthur Roberts
[gmx-users] gromacs 3.3.1 with fftw 3.12 and the current version of AIX 5.2 Arthur Roberts
[gmx-users] box of water with ions Victor Manuel Rosas-Garcia
[gmx-users] single point calculation Reynier Suardiaz del Río
[gmx-users] CHARMM force field implementation in Gromacs : conversion of periodic into Ryckaert-Bellemans parameters. Nicolas SAPAY
[gmx-users] CHARMM force field implementation in Gromacs : retrieval of bonded/non-bonded parameters Nicolas SAPAY
[gmx-users] CHARMM force field implementation in Gromacs : Nicolas SAPAY
[gmx-users] CHARMM force field : TIP3 LJ parameters Nicolas SAPAY
[gmx-users] protein unstable for parallel job while stable for serial one Akansha Saxena
[gmx-users] Re: protein unstable for parallel job while stable for serial one Akansha Saxena
[gmx-users] g_cluster -dm Nikos Sgourakis
[gmx-users] short range nonbondeds = 0 in power4 Atte Sillanpää
[gmx-users] short range nonbondeds = 0 in power4 Atte Sillanpää
[gmx-users] short range nonbondeds = 0 in power4 Atte Sillanpää
[gmx-users] short range nonbondeds = 0 in power4 Atte Sillanpää
[gmx-users] g_msd David van der Spoel
[gmx-users] box of water with ions David van der Spoel
[gmx-users] Making small molecule topology files David van der Spoel
[gmx-users] [Fwd: gen_seed GROMACS] David van der Spoel
[gmx-users] [Fwd: gen_seed GROMACS] David van der Spoel
[gmx-users] Tip5p with gromos 96, error atom has mass 0 David van der Spoel
[gmx-users] Question about angle constraints David van der Spoel
[gmx-users] invacuo simulation David van der Spoel
[gmx-users] Possible Bug GROMACS 3.3.1 - NMA David van der Spoel
[gmx-users] change number of processors after tpbconv David van der Spoel
[gmx-users] about gromacs David van der Spoel
[gmx-users] invacuo minimization David van der Spoel
[gmx-users] Re: invacuo minimization David van der Spoel
[gmx-users] Viscosity in PE David van der Spoel
[gmx-users] how to exclude some atoms from coulomb interaction calculation? David van der Spoel
[gmx-users] why the mdrun stop David van der Spoel
[Fwd: Re: Re: [gmx-users] why the mdrun stop] David van der Spoel
[gmx-users] May I use "-b" and "-e" in the cosine con tent calculation of PC? David van der Spoel
[gmx-users] Re: Thanks! David van der Spoel
[gmx-users] TFE .gro files David van der Spoel
[gmx-users] May I use "-b" and "- e" in the cosine con tent calculation of PC? David van der Spoel
[gmx-users] constrained minimization David van der Spoel
[gmx-users] genion causing atom to be in multiple T-Coupling groups David van der Spoel
SV: Re: [gmx-users] constraint distance David van der Spoel
[gmx-users] Re: problem with dimer simulation ! David van der Spoel
[gmx-users] Dihedral angle in OPLS-AA force field David van der Spoel
[gmx-users] Dihedral angle in OPLS-AA force field David van der Spoel
[gmx-users] Re: genion causing atom to be in multiple T-Coupling groups David van der Spoel
[gmx-users] RE: gmx-users Digest, Vol 29, Issue 23 David van der Spoel
[gmx-users] problem about "order parameter" David van der Spoel
[gmx-users] changing the parameter numbers for torsion David van der Spoel
[gmx-users] cross terms!! David van der Spoel
[gmx-users] Question about parallazing Gromacs David van der Spoel
[gmx-users] Gromacs Surface tension David van der Spoel
[gmx-users] Intial velocity David van der Spoel
[gmx-users] openmpi David van der Spoel
Fwd: [gmx-users] Hi... David van der Spoel
[gmx-users] why the backbone can be broken during MD process David van der Spoel
[gmx-users] short range nonbondeds = 0 in power4 David van der Spoel
[gmx-users] Hi... David van der Spoel
[gmx-users] Hi... David van der Spoel
[gmx-users] CHARMM force field implementation in Gromacs : David van der Spoel
Fwd: [gmx-users] Hi... David van der Spoel
[gmx-users] short range nonbondeds = 0 in power4 David van der Spoel
[gmx-users] Why RMSFs of some protein chains in my system are unreasonably large? David van der Spoel
[gmx-users] periodic boundary condition David van der Spoel
[gmx-users] Surface Tension Calculation David van der Spoel
[gmx-users] is it my mdp's wrong? David van der Spoel
[gmx-users] Re: question about g_rdf -com & a little mistake on make_ndx David van der Spoel
[gmx-users] short range nonbondeds = 0 in power4 David van der Spoel
[gmx-users] The molecule size David van der Spoel
[gmx-users] g_rotacf David van der Spoel
[gmx-users] Changing output frequency when doing a continuation with tpbconv David van der Spoel
[gmx-users] execution of water tutorial files on BG/L David van der Spoel
[gmx-users] defining new residues? David van der Spoel
[gmx-users] HBond frequency David van der Spoel
[gmx-users] Free energy calculations Viswanadham Sridhara
[gmx-users] cardiolipin / Cytochrome C Viswanadham Sridhara
[gmx-users] Recover corrupted files from DVD Oliver Stüker
[gmx-users] Coulomb 1-4 interactions Ryogo Sugitani
[gmx-users] Determining onset of melting Bjørn Steen Sæthre
[gmx-users] Water Tutorial and g_rdf Matt Thompson
[gmx-users] Coulomb 1-4 interactions Jianhui Tian
[gmx-users] Fatal error: Shake block crossing node boundaries Jianhui Tian
[gmx-users] single and double Stéphane Téletchéa
[gmx-users] Recover corrupted files from DVD Stéphane Téletchéa
[gmx-users] FW: This one is not stoppings itsClimb! Pakpoom Utta
FW: [gmx-users] own forcefield and pairs Pakpoom Utta
[gmx-users] Continue run Navratna Vajpai
[gmx-users] Hi... Navratna Vajpai
Fwd: [gmx-users] Hi... Navratna Vajpai
[gmx-users] Hi... Navratna Vajpai
[gmx-users] Hi... Navratna Vajpai
[gmx-users] Hi... Navratna Vajpai
[gmx-users] AFM pulling Emily Walton
[gmx-users] Surface Tension Calculation Dallas B. Warren
[gmx-users] mdp wrong Dallas B. Warren
[gmx-users] question about energy and pressure Dallas B. Warren
[gmx-users] How can I remove water and ion molecules Dallas B. Warren
[gmx-users] Gromacs version Tsjerk Wassenaar
[gmx-users] May I use "-b" and "- e" in the cosine con tent calculation of PC? Tsjerk Wassenaar
[gmx-users] constraint distance Tsjerk Wassenaar
[gmx-users] Re: genion causing atom to be in multiple T-Coupling groups Tsjerk Wassenaar
Re: 回复： Re: [gmx-users] r.m.s.i.p Tsjerk Wassenaar
[gmx-users] protein unstable for parallel job while stable for serial one Tsjerk Wassenaar
[gmx-users] Re: protein unstable for parallel job while stable for serial one Tsjerk Wassenaar
[gmx-users] Minimization Issue - membrane inverted and system copied Tsjerk Wassenaar
[gmx-users] about box size (II) Tsjerk Wassenaar
[gmx-users] configuration of system for small molecule crystal simulations Tsjerk Wassenaar
[gmx-users] Covalent bonds between topology files Tsjerk Wassenaar
[gmx-users] Re: water molecules in vacuum simulation. Tsjerk Wassenaar
[gmx-users] g_rotacf again Tsjerk Wassenaar
[gmx-users] g_rms, matrix and raw data Tsjerk Wassenaar
[gmx-users] energy minimization end too early! Tsjerk Wassenaar
[gmx-users] merger ligand and protein to constriant Bjoern Windshuegel
[gmx-users] "deprecated" Bjoern Windshuegel
[gmx-users] water molecules in vacuum simulation. Steffen Wolf
[gmx-users] changing the parameter numbers for torsion Rongliang Wu
[gmx-users] cross terms!! Rongliang Wu
[gmx-users] the gmxdump reveals less parameters than i expect Rongliang Wu
[gmx-users] Gromacs version Chenyue Xing
[gmx-users] May I use "-b" and "- e" in the cosine con tent calculation of PC? M. Yan
[gmx-users] May I use "-b" and "- e" in the cosine con tent calculation of PC? M. Yan
[gmx-users] May I use "-b" and "- e" in the cosine co n tent calculation of PC? M. Yan
[gmx-users] calculate the interaction energy between different parts of protein M. Yan
[gmx-users] calculate the interac tion energy between different parts of pr otein M. Yan
[gmx-users] calculate the interaction energy between differentparts of protein M. Yan
[gmx-users] May I use "-b" and "-e" in the cosine con tent calculation of PC? Mao-Cai Yan
[gmx-users] how to exclude some atoms from coulomb interaction calculation? Cherry Y. Yates
[gmx-users] periodic boundary condition Cherry Y. Yates
[gmx-users] periodic boundary condition Cherry Y. Yates
[gmx-users] opls Yang Ye
[gmx-users] surface tension Serge Yefimov
[gmx-users] LINCS warning Ragothaman Yennamalli
[gmx-users] Gromacs version Ragothaman Yennamalli
[gmx-users] RE: opls Dongsheng Zhang
Fwd: [gmx-users] Hi... Dongsheng Zhang
Fwd: [gmx-users] Hi... Dongsheng Zhang
[gmx-users] defining new residues? Dongsheng Zhang
[gmx-users] Why RMSFs of some protein chains in my system are unreasonably large? Hu Zhongqiao
[gmx-users] Re: Why RMSFs of some protein chains in my system are unreasonably large? Hu Zhongqiao
[gmx-users] Extracting C-alpha component from all-atom Hessian matrix Lei Zhou
[gmx-users] Extracting C-alpha component from all-atom Hessian matrix Lei Zhou
[gmx-users] How can I remove water and ion molecules jahanshah ashkani
[gmx-users] invacuo simulation anwar at cdfd.org.in
[gmx-users] invacuo minimization anwar at cdfd.org.in
[gmx-users] Re: invacuo minimization anwar at cdfd.org.in
[gmx-users] water molecules in vacuum simulation. anwar at cdfd.org.in
[gmx-users] Re: water molecules in vacuum simulation. anwar at cdfd.org.in
[gmx-users] Re: water molecules in vacuum simulation anwar at cdfd.org.in
[gmx-users] defining 2 posres at a time in mdp anwar at cdfd.org.in
[gmx-users] problem about "order parameter" clark
[gmx-users] Job Vacancy -MolNaC University of Salerno andrea correa
[gmx-users] defining new residues? scott.t.milner at exxonmobil.com
[gmx-users] mdrun_hole problem alokjain at iitk.ac.in
[gmx-users] mdrun_hole problem alokjain at iitk.ac.in
[gmx-users] mdrun_hole problem again alokjain at iitk.ac.in
[gmx-users] Dihedral angle in OPLS-AA force field alokjain at iitk.ac.in
[gmx-users] OPLS-AA force field again regarding 1-4 interaction alokjain at iitk.ac.in
[gmx-users] RB dihedral potential query in OPLS alokjain at iitk.ac.in
[gmx-users] re: RB dihedral potential query in OPLS alokjain at iitk.ac.in
[gmx-users] The right way of killing Gromacs kobi
[gmx-users] g_rms, matrix and raw data ninoo mani
[gmx-users] g_rms, matrix and raw data ninoo mani
[gmx-users] Fatal error: Force field inconsistency svb1 at msstate.edu
[gmx-users] Fatal error: Force field inconsistency svb1 at msstate.edu
[gmx-users] Surface Tension Calculation svb1 at msstate.edu
[gmx-users] Fatal error: Force field inconsistency svb1 at msstate.edu
[gmx-users] EM problem with OPLS and TIP4P vechism at netscape.net
[gmx-users] EM problem with OPLS and TIP4P vechism at netscape.net
[gmx-users] openmpi gigo at poczta.ibb.waw.pl
回复： Re: [gmx-users] r.m.s.i.p raja
[gmx-users] Bonds Elias santos
[gmx-users] bonds Elias santos
[gmx-users] opls singh
[gmx-users] opls singh
[gmx-users] RE: opls singh
[gmx-users] Recover corrupted files from DVD andrea spitaleri
[gmx-users] g_order C code priyanka srivastava
[gmx-users] g_order C code priyanka srivastava
[gmx-users] g_order C code priyanka srivastava
[gmx-users] surface tension priyanka srivastava
[gmx-users] Gromacs Surface tension toma0052
[gmx-users] Surface Tension Calculation toma0052
[gmx-users] Lipid simulations toma0052
[gmx-users] Lipid Bilayer Simulations toma0052
[gmx-users] QMMM interface pedros at ufp.pt
[gmx-users] Simulation problem with extended membrane system! chris.neale at utoronto.ca
[gmx-users] mdrun_hole problem again chris.neale at utoronto.ca
[gmx-users] RB-dihedral replacing 1-4 interactions chris.neale at utoronto.ca
[gmx-users] OPLS + ffgmx chris.neale at utoronto.ca
[gmx-users] radial densities chris.neale at utoronto.ca
[gmx-users] Simulation problem with extended membrane system! chris.neale at utoronto.ca
[gmx-users] Re: Simulation problem with extended membrane system! chris.neale at utoronto.ca
[gmx-users] Re: Simulation problem with extended membrane system! chris.neale at utoronto.ca
[gmx-users] lincs regular output chris.neale at utoronto.ca
[gmx-users] Re: Simulation problem with extended membrane system! chris.neale at utoronto.ca
[gmx-users] re: non-bonded interactions in GROMACS chris.neale at utoronto.ca
[gmx-users] re: RB dihedral potential query in OPLS chris.neale at utoronto.ca
[gmx-users] A method to scale Coulombic 1-4 interactions seperately chris.neale at utoronto.ca
[gmx-users] Re: Simulation problem with extended membrane system! chris.neale at utoronto.ca
[gmx-users] re: RB dihedral potential query in OPLS chris.neale at utoronto.ca
[gmx-users] A method to scale Coulombic 1-4 interactions seperately chris.neale at utoronto.ca
[gmx-users] openmpi chris.neale at utoronto.ca
[gmx-users] g_mindist -pi (minimum periodic) and dodecahedron chris.neale at utoronto.ca
[gmx-users] Using ACE and NAC with oplsaa chris.neale at utoronto.ca
[gmx-users] Re: Using ACE and NAC with oplsaa chris.neale at utoronto.ca
[gmx-users] Re: DPPC Bilayer Size chris.neale at utoronto.ca
[gmx-users] Re: Simulation problem with extended membrane system! chris.neale at utoronto.ca
[gmx-users] re: n-hexadecane simulation chris.neale at utoronto.ca
[gmx-users] re: n-hexadecane simulation chris.neale at utoronto.ca
[gmx-users] single and double chris.neale at utoronto.ca
[gmx-users] make_hole vs. genconf chris.neale at utoronto.ca
[gmx-users] 1-4 columb interaction chris.neale at utoronto.ca
[gmx-users] EM problem with OPLS and TIP4P chris.neale at utoronto.ca
[gmx-users] single and double chris.neale at utoronto.ca
[gmx-users] 1-4 columb interaction chris.neale at utoronto.ca
[gmx-users] about box size chris.neale at utoronto.ca
[gmx-users] about box size (II) chris.neale at utoronto.ca
[gmx-users] about box size (II) chris.neale at utoronto.ca
[gmx-users] crystal waters crash parallel but not serial chris.neale at utoronto.ca
[gmx-users] about box size (III) chris.neale at utoronto.ca
[gmx-users] Covalent bonds between topology files wjallen at vt.edu
[gmx-users] Covalent bonds between topology files wjallen at vt.edu
[gmx-users] Charge calculation in Gromacs kanin wichapong
[gmx-users] constraint distance kanin wichapong
[gmx-users] constraint distance between ligand and protein kanin wichapong
[gmx-users] merge ligand and protein kanin wichapong
[gmx-users] merger ligand and protein to constriant kanin wichapong
[gmx-users] Simulation problem with extended membrane system! liu xin
[gmx-users] Simulation problem with extended membrane system! liu xin
[gmx-users] Re: Simulation problem with extended membrane system! liu xin
[gmx-users] Re: Simulation problem with extended membrane system! liu xin
[gmx-users] Re: Simulation problem with extended membrane system! liu xin
[gmx-users] Re: Simulation problem with extended membrane system! liu xin
[gmx-users] HBond frequency liu xin
[gmx-users] HBond frequency liu xin
[gmx-users] contact mahbubeh zarrabi
[gmx-users] running CPMD with GROMACS interface in SGI irix 6.5 james zhang
[gmx-users] r.m.s.i.p xi zhao
回复： Re: [gmx-users] r.m.s.i.p xi zhao
回复： Re: [gmx-users] r.m.s.i.p xi zhao
回复： RE: [gmx-users] r.m.s.i.p xi zhao
回复： Re: 回复： Re: [gmx-users] r.m.s.i.p xi zhao
回复： Re: 回复： Re: [gmx-users] r.m.s.i.p xi zhao
[gmx-users] why the mdrun stop zzhwise1
[gmx-users] can the GMX model the monolayer frict ion ? zzhwise1
[gmx-users] how to write a annealing .mdp zzhwise1
[gmx-users] does the conformation cause this error? zzhwise1
[gmx-users] is it my mdp's wrong? zzhwise1
[gmx-users] mdp wrong zzhwise1
[gmx-users] about equilibration and minimization! zzhwise1
[gmx-users] bond lost! zzhwise1
[gmx-users] bond lost (II) zzhwise1
[gmx-users] about box size zzhwise1
[gmx-users] about box size (II) zzhwise1
[gmx-users] about box size (III) zzhwise1
[gmx-users] energy minimization end too early! zzhwise1
[gmx-users] about gromacs 代振宇
[gmx-users] merger ligand and protein to constriant 王准
[gmx-users] constrained minimization 이 선주
[gmx-users] Re: constrained minimization (David van der Spoel) 이 선주
[gmx-users] Tip5p with gromos 96, error atom has mass 0 主月：）
[gmx-users] The molecule size 主月：）
[gmx-users] The molecule size 主月：）
[gmx-users] Re: The molecule size (jiqing) 主月：）
[gmx-users] Re: The molecule size (jiqing) 主月：）

Last message date: Sat Sep 30 18:26:12 CEST 2006
Archived on: Thu Nov 14 12:03:12 CET 2013

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