January 2015 Archives by subject

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Starting: Thu Jan 1 01:22:46 CET 2015
Ending: Sat Jan 31 23:35:56 CET 2015
Messages: 456

• [gmx-users] "invalid order for directive atomtypes", but only one ligand   Jonathan Saboury
• [gmx-users] "invalid order for directive atomtypes", but only one ligand   Jonathan Saboury
• [gmx-users] "invalid order for directive atomtypes", but only one ligand   Justin Lemkul
• [gmx-users] "invalid order for directive atomtypes", but only one ligand   Justin Lemkul
• [gmx-users] [MGMS-DS]: Molecular Modelling Workshop March 9-11, 2015 in Erlangen, Germany   Harald Lanig
• [gmx-users] A question of Non-equilibrium MD in gromacs   陶璐
• [gmx-users] A question regarding electrostatic and coulomb energies.   Mark Abraham
• [gmx-users] A question regarding electrostatic and coulomb energies.   IÑIGO SAENZ
• [gmx-users] about CG MD Position Constraint   BIRD
• [gmx-users] adding new residue   fatemeh ramezani
• [gmx-users] After solvation and before adding ions, number of molecules does not agree even though number of H2O molecules   Thomas Lipscomb
• [gmx-users] After solvation and before adding ions, number of molecules does not agree even though number of H2O molecules   Justin Lemkul
• [gmx-users] After solvation and before adding ions, number of molecules does not agree even though number of H2O molecules   Justin Lemkul
• [gmx-users] After solvation and before adding ions, number of molecules does not agree even though number of H2O molecules   Justin Lemkul
• [gmx-users] After solvation and before adding ions, number of molecules does not agree even though number of H2O molecules does   Thomas Lipscomb
• [gmx-users] After solvation and before adding ions, number of molecules does not agree even though number of H2O molecules does   Justin Lemkul
• [gmx-users] All-atom vs United-atom force fields and hydrogen bonds   Jason Hill
• [gmx-users] AMBER99 topology for ADP   Marc Hoemberger
• [gmx-users] AMBER99 topology for ADP   bipin singh
• [gmx-users] AMBER99 topology for ADP   Marc Hoemberger
• [gmx-users] AMBER99 topology for ADP   Justin Lemkul
• [gmx-users] AMBER99 topology for ADP   Somlata Das
• [gmx-users] analysing charmm trajectories   Chiara Parravicini
• [gmx-users] analysing charmm trajectories   Justin Lemkul
• [gmx-users] analysing charmm trajectories   Chiara Parravicini
• [gmx-users] Applying restraints into 'secondary structure' of a Protein   Carlos Navarro Retamal
• [gmx-users] Applying restraints into 'secondary structure' of a Protein   Mark Abraham
• [gmx-users] Applying restraints into 'secondary structure' of a Protein   Carlos Navarro Retamal
• [gmx-users] atom freezing   mah maz
• [gmx-users] atom freezing   Justin Lemkul
• [gmx-users] atom freezing   mah maz
• [gmx-users] atom freezing   Justin Lemkul
• [gmx-users] atom freezing   mah maz
• [gmx-users] Atoms in the .top are not numbered consecutively from 1   Jennifer Vo
• [gmx-users] Atoms in the .top are not numbered consecutively from 1   Mark Abraham
• [gmx-users] Atoms in the .top are not numbered consecutively from 1   Jennifer Vo
• [gmx-users] Atomtype P,SI not found from grompp   Jennifer Vo
• [gmx-users] Atomtype P,SI not found from grompp   Justin Lemkul
• [gmx-users] Atomtype P,SI not found from grompp   Jennifer Vo
• [gmx-users] Atomtype P,SI not found from grompp   Justin Lemkul
• [gmx-users] Atomtype P,SI not found from grompp   Jennifer Vo
• [gmx-users] Atomtype P,SI not found from grompp   Justin Lemkul
• [gmx-users] Atomtype P,SI not found from grompp   Jennifer Vo
• [gmx-users] Atomtype P,SI not found from grompp   Justin Lemkul
• [gmx-users] Atomtype P,SI not found from grompp   Jennifer Vo
• [gmx-users] Atomtype P,SI not found from grompp   Jennifer Vo
• [gmx-users] Atomtype P,SI not found from grompp   Justin Lemkul
• [gmx-users] Atomtype P,SI not found from grompp   Jennifer Vo
• [gmx-users] Atomtype P,SI not found from grompp   Justin Lemkul
• [gmx-users] Atomtype P,SI not found from grompp   Jennifer Vo
• [gmx-users] backmapping protein + dppc   Adriana Garro
• [gmx-users] backmapping protein + dppc   Tsjerk Wassenaar
• [gmx-users] backmapping protein + dppc   Adriana Garro
• [gmx-users] backmapping protein + dppc   Justin Lemkul
• [gmx-users] backmapping protein + dppc   Tsjerk Wassenaar
• [gmx-users] backmapping protein + dppc   Adriana Garro
• [gmx-users] backmapping protein + dppc   Tsjerk Wassenaar
• [gmx-users] backmapping protein + dppc   Adriana Garro
• [gmx-users] backmapping protein + dppc   Tsjerk Wassenaar
• [gmx-users] backmapping protein + dppc   Adriana Garro
• [gmx-users] Box volume during dynamics   felipe zapata
• [gmx-users] Box volume during dynamics   Justin Lemkul
• [gmx-users] Calculating h-bonds frequency along the simulation   Vered Kunik
• [gmx-users] Calculating h-bonds frequency along the simulation   Justin Lemkul
• [gmx-users] Calculating h-bonds frequency along the simulation   Vered Kunik
• [gmx-users] Calculating h-bonds frequency along the simulation   Justin Lemkul
• [gmx-users] Calculating h-bonds frequency along the simulation   Erik Marklund
• [gmx-users] Calculating hydrogen bonds between specific residues   Agnivo Gosai
• [gmx-users] Calculating hydrogen bonds between specific residues   Justin Lemkul
• [gmx-users] can't generate pdb file in g_cluster   Nizar Masbukhin
• [gmx-users] Changing number of processors after a job restart   Nash, Anthony
• [gmx-users] Changing number of processors after a job restart   Justin Lemkul
• [gmx-users] Changing number of processors after a job restart   Nash, Anthony
• [gmx-users] Changing number of processors after a job restart   Justin Lemkul
• [gmx-users] Changing number of processors after a job restart   Nash, Anthony
• [gmx-users] choosing appropriate force field   elham tazikeh
• [gmx-users] choosing appropriate force field   Justin Lemkul
• [gmx-users] Cluster recommendations   David McGiven
• [gmx-users] Cluster recommendations   Carsten Kutzner
• [gmx-users] Cluster recommendations   David McGiven
• [gmx-users] Cluster recommendations   Carsten Kutzner
• [gmx-users] Cluster recommendations   David McGiven
• [gmx-users] Cluster recommendations   David McGiven
• [gmx-users] Cluster recommendations   David McGiven
• [gmx-users] Cluster studies of ions   Meena Singh
• [gmx-users] clustering using gromos method   Adriana Garro
• [gmx-users] clustering using gromos method   XAvier Periole
• [gmx-users] clustering using gromos method   Adriana Garro
• [gmx-users] clustering using gromos method   Adriana Garro
• [gmx-users] clustering using gromos method   XAvier Periole
• [gmx-users] compiling issue   Éric Germaneau
• [gmx-users] compiling issue   Éric Germaneau
• [gmx-users] compiling issue   Mark Abraham
• [gmx-users] compiling issue   Éric Germaneau
• [gmx-users] compiling issue   Éric Germaneau
• [gmx-users] compiling issue   Mark Abraham
• [gmx-users] constant pH simulations in GROMACS 4.5   Sahithya S Iyer
• [gmx-users] constant pH simulations in GROMACS 4.5   Gerrit Groenhof
• [gmx-users] constant pH simulations in GROMACS 4.5   Antonio Baptista
• [gmx-users] Continuing umbrella sampling after crash   Alexander Law
• [gmx-users] Continuing umbrella sampling after crash   Justin Lemkul
• [gmx-users] coordinates file format   mah maz
• [gmx-users] coordinates file format   Mark Abraham
• [gmx-users] coordinates file format   mah maz
• [gmx-users] coordinates file format   Mark Abraham
• [gmx-users] coordinates file format   mah maz
• [gmx-users] coordinates file format   Justin Lemkul
• [gmx-users] coordinates file format   Mark Abraham
• [gmx-users] coordinates file format   mah maz
• [gmx-users] coordinates file format   Erik Marklund
• [gmx-users] coordinates file format   Mark Abraham
• [gmx-users] coordinates file format   mah maz
• [gmx-users] coordinates file format   Mark Abraham
• [gmx-users] coordinates file format   mah maz
• [gmx-users] Cosine content of an eigenvector in PCA after 100ns still 0.9   Ebert Maximilian
• [gmx-users] Cosine content of an eigenvector in PCA after 100ns still 0.9   Tsjerk Wassenaar
• [gmx-users] Cosine content of an eigenvector in PCA after 100ns still 0.9   Ebert Maximilian
• [gmx-users] Cosine content of an eigenvector in PCA after 100ns still 0.9   Tsjerk Wassenaar
• [gmx-users] Covalent bond/crosslink formation with calcium   Turgay Cakmak
• [gmx-users] cpu gpu performance   h.alizadeh at znu.ac.ir
• [gmx-users] cpu gpu performance   Mark Abraham
• [gmx-users] Debugging 'inconsistent shifts'   Kalev Takkis
• [gmx-users] Debugging 'inconsistent shifts'   Justin Lemkul
• [gmx-users] Debugging 'inconsistent shifts'   Kalev Takkis
• [gmx-users] Debugging 'inconsistent shifts'   Justin Lemkul
• [gmx-users] Debugging 'inconsistent shifts'   Kalev Takkis
• [gmx-users] Decomposing the long range term of interaction energy   David van der Spoel
• [gmx-users] Decomposing the long range term of interaction energy   Diogo Martins de Sá
• [gmx-users] Define box size   Seera Suryanarayana
• [gmx-users] Define box size   Justin Lemkul
• [gmx-users] Dihedral angle autocorrelation function   atanu das
• [gmx-users] Dihedral angle autocorrelation function   David van der Spoel
• [gmx-users] Dihedral angle autocorrelation function   atanu das
• [gmx-users] Dihedral pca   pratibha kapoor
• [gmx-users] Dihedral pca   bipin singh
• [gmx-users] Dihedral pca   pratibha kapoor
• [gmx-users] Dihedral pca   bipin singh
• [gmx-users] Dihedral pca   pratibha kapoor
• [gmx-users] Dihedral pca   bipin singh
• [gmx-users] Dihedral pca   Tsjerk Wassenaar
• [gmx-users] Dihedral pca   pratibha kapoor
• [gmx-users] Dihedral pca   pratibha kapoor
• [gmx-users] Dihedral pca   ruchi lohia
• [gmx-users] dipole derivative   xy21hb
• [gmx-users] dipole derivative   David van der Spoel
• [gmx-users] Distance restraint file error   Deep Bhattacharya
• [gmx-users] double size a box   BIRD
• [gmx-users] double size a box   Mark Abraham
• [gmx-users] Doubt in Gromacs nsteps, ps and ns   salam pradeep
• [gmx-users] Doubt in Gromacs nsteps, ps and ns   Tsjerk Wassenaar
• [gmx-users] Doubt in Gromacs nsteps, ps and ns   salam pradeep
• [gmx-users] Doubt regarding nrexcl parameter in topology   bipin singh
• [gmx-users] Doubt regarding nrexcl parameter in topology   Chandan Choudhury
• [gmx-users] Doubt regarding nrexcl parameter in topology   bipin singh
• [gmx-users] During minimization "A charge group moved too far between two domain decomposition steps"   XAvier Periole
• [gmx-users] During minimization "A charge group moved too far between two domain decomposition steps"   XAvier Periole
• [gmx-users] During minimization "A charge group moved too far between two domain decomposition steps"   Jonathan Saboury
• [gmx-users] During minimization "A charge group moved too far between two domain decomposition steps"   Jonathan Saboury
• [gmx-users] During minimization "A charge group moved too far between two domain decomposition steps"   Justin Lemkul
• [gmx-users] Electrostatic potential   asasa qsqs
• [gmx-users] Electrostatic potential   asasa qsqs
• [gmx-users] Energy minimization for Inositol pyrophosphate   ashish bihani
• [gmx-users] Energy minimization for Inositol pyrophosphate   Justin Lemkul
• [gmx-users] Energy minimization for Inositol pyrophosphate   ashish bihani
• [gmx-users] Energy minimization for Inositol pyrophosphate   Justin Lemkul
• [gmx-users] Energy minimization problem in Choline Chloride+Urea mixture in Gromacs   Christopher Neale
• [gmx-users] Energy minimization problem in Choline Chloride+Urea mixture in Gromacs   Suman Das
• [gmx-users] Energy minimization problem in Choline Chloride+Urea mixture in Gromacs   Justin Lemkul
• [gmx-users] Error : Atomtype not found   protim chakraborti
• [gmx-users] Error : Atomtype not found   Justin Lemkul
• [gmx-users] Error : Atomtype not found   protim chakraborti
• [gmx-users] Error : Atomtype not found   Justin Lemkul
• [gmx-users] Error during NVT   neha bharti
• [gmx-users] Error during NVT   Justin Lemkul
• [gmx-users] Error in Topology file   Rajan Kumar
• [gmx-users] Error in Topology file   Justin Lemkul
• [gmx-users] Error message in GROMACS   David van der Spoel
• [gmx-users] Error on restart REMD simulations   leila salimi
• [gmx-users] Error on restart REMD simulations   Mark Abraham
• [gmx-users] Execution of EM step:5 failed   Stephen P. Molnar
• [gmx-users] Execution of EM step:5 failed   Justin Lemkul
• [gmx-users] fe2s2 simulation   Somlata Das
• [gmx-users] fe2s2 simulation   Rohit Farmer
• [gmx-users] Fixed orientation   Felipe Merino
• [gmx-users] Fwd: Net charge error   Siddhesh Kamat
• [gmx-users] Fwd: Net charge error   Justin Lemkul
• [gmx-users] Fwd: Frequency dependent dielectric of water   Bharat Sharma
• [gmx-users] Fwd: Frequency dependent dielectric of water   David van der Spoel
• [gmx-users] Fwd: Frequency dependent dielectric of water   Bharat Sharma
• [gmx-users] Fwd: Net charge error   Siddhesh Kamat
• [gmx-users] Fwd: Net charge error   Justin Lemkul
• [gmx-users] g_hbond not running   Erik Marklund
• [gmx-users] g_rotacf lag time   Ebert Maximilian
• [gmx-users] g_sas problem?   Albert
• [gmx-users] g_sas problem?   Justin Lemkul
• [gmx-users] g_sas problem?   Albert
• [gmx-users] g_sas problem?   Justin Lemkul
• [gmx-users] g_sas problem?   Albert
• [gmx-users] g_sas problem?   Justin Lemkul
• [gmx-users] g_sas question   Eric Smoll
• [gmx-users] g_sas values of zero and Warning   Nash, Anthony
• [gmx-users] g_select syntax unavailable in GROMACS 5.0 and 5.0.1   Kester Wong
• [gmx-users] g_select syntax unavailable in GROMACS 5.0 and 5.0.1   Teemu Murtola
• [gmx-users] g_select syntax unavailable in GROMACS 5.0 and 5.0.1   Kester Wong
• [gmx-users] g_select syntax unavailable in GROMACS 5.0 and 5.0.1   Teemu Murtola
• [gmx-users] g_tune_pme_mpi on GPU cluster fails   Ebert Maximilian
• [gmx-users] g_tune_pme_mpi on GPU cluster fails   Carsten Kutzner
• [gmx-users] g_tune_pme_mpi on GPU cluster fails   Mark Abraham
• [gmx-users] g_tune_pme_mpi on GPU cluster fails   Ebert Maximilian
• [gmx-users] g_tune_pme_mpi on GPU cluster fails   Carsten Kutzner
• [gmx-users] g_tune_pme_mpi on GPU cluster fails   Ebert Maximilian
• [gmx-users] g_tune_pme_mpi on GPU cluster fails   Carsten Kutzner
• [gmx-users] gmxcheck killed   Jennifer Vo
• [gmx-users] gmxcheck killed   Justin Lemkul
• [gmx-users] Greetings+Which computer?   amitabh jayaswal
• [gmx-users] Greetings+Which computer?   Justin Lemkul
• [gmx-users] GridMAT-MD   asasa qsqs
• [gmx-users] GridMAT-MD   asasa qsqs
• [gmx-users] GridMAT-MD   m g
• [gmx-users] GridMAT-MD   David van der Spoel
• [gmx-users] GridMAT-MD   Justin Lemkul
• [gmx-users] Gromacs Installation problem   Shankar Prasad Kanaujia
• [gmx-users] Gromacs Installation problem   Mark Abraham
• [gmx-users] Gromacs Installation problem   Shankar Prasad Kanaujia
• [gmx-users] Gromacs precision and the precision of values set in the mdp file   Eric Smoll
• [gmx-users] Gromacs precision and the precision of values set in the mdp file   Mark Abraham
• [gmx-users] gromacs QMMM gaussian 09 (g09) input format   Gerrit Groenhof
• [gmx-users] gromacs.org_gmx-users Digest, Vol 129, Issue 32   asasa qsqs
• [gmx-users] gromacs.org_gmx-users Digest, Vol 129, Issue 4   asasa qsqs
• [gmx-users] How can i save all run processes ...   elham tazikeh
• [gmx-users] How can i save all run processes ...   Mark Abraham
• [gmx-users] How can i save all run processes ...   elham tazikeh
• [gmx-users] How can i save all run processes ...   Justin Lemkul
• [gmx-users] how can we modify *.rtp file (again again)   Mark Abraham
• [gmx-users] how can we modify *.rtp file?   marzieh dehghan
• [gmx-users] how can we modify *.rtp file?   Justin Lemkul
• [gmx-users] how can we modify *.rtp file? (again)   marzieh dehghan
• [gmx-users] how does PME auto-tuning work   Jiaqi Lin
• [gmx-users] how does PME auto-tuning work   Jiaqi Lin
• [gmx-users] how does PME auto-tuning work   Jiaqi Lin
• [gmx-users] how does PME auto-tuning work   Jiaqi Lin
• [gmx-users] how does PME auto-tuning work   Jiaqi Lin
• [gmx-users] How to calculate energy after production MD   Navneet Chaturvedi
• [gmx-users] How to calculate energy after production MD   Mark Abraham
• [gmx-users] How to calculate energy after production MD   Justin Lemkul
• [gmx-users] How to calculate energy after production MD   Navneet Chaturvedi
• [gmx-users] How to calculate energy after production MD   Mark Abraham
• [gmx-users] How to calculate local pressure by using virial   张正财
• [gmx-users] How to compute persistence length in gromacs   Christian Bope Domilongo
• [gmx-users] How to compute persistence length in gromacs   Justin Lemkul
• [gmx-users] How to compute persistence length in gromacs   Christian Bope Domilongo
• [gmx-users] How to do parallel simulation by OpenMP?   Hassan Aaryapour
• [gmx-users] How to do parallel simulation by OpenMP?   Mark Abraham
• [gmx-users] How to g_select water and ions?   Kester Wong
• [gmx-users] How to g_select water and ions?   Justin Lemkul
• [gmx-users] How to introduce Mg2+ ions to system that are necessary for nucleotide co-enzymes?   Hassan Aaryapour
• [gmx-users] How to introduce Mg2+ ions to system that are necessary for nucleotide co-enzymes?   Justin Lemkul
• [gmx-users] How to plot a droplet radius profile as a function of z-directio   Kester Wong
• [gmx-users] How to plot a droplet radius profile as a function of z-directio   Justin Lemkul
• [gmx-users] Implicit solvent in Gromacs 5.0.3   Stephen Fried
• [gmx-users] Implicit solvent in Gromacs 5.0.3   Justin Lemkul
• [gmx-users] implicit_genborn_params for Na+   Mana Asq
• [gmx-users] Importing a trajectory into MOE   adam
• [gmx-users] Importing a trajectory into MOE   Sandeep Somani
• [gmx-users] Infinite cutoffs with periodic boundary condition   이종화(Jong Wha Lee)
• [gmx-users] Infinite cutoffs with periodic boundary condition   Mark Abraham
• [gmx-users] Infinite cutoffs with periodic boundary condition   Mark Abraham
• [gmx-users] insert-molecules module   Siddhesh Kamat
• [gmx-users] Interface/buried erea   Saman Shahriyari
• [gmx-users] Interface/buried erea   Saman Shahriyari
• [gmx-users] Is the PMF from "gmx wham" a free energy curve?   Alexander Björling
• [gmx-users] Is the PMF from "gmx wham" a free energy curve?   Justin Lemkul
• [gmx-users] Is the PMF from "gmx wham" a free energy curve?   Alexander Björling
• [gmx-users] Jump in temperature each time a new simulation is started.   Dan Sponseller
• [gmx-users] Jump in temperature each time a new simulation is started.   Justin Lemkul
• [gmx-users] Ligand Topology file   neha bharti
• [gmx-users] Ligand Topology file   Justin Lemkul
• [gmx-users] load imbalance: putting more load on GPU than CPU   Pappu Kumar
• [gmx-users] Log output of GPU accelerated GROMACS   Ebert Maximilian
• [gmx-users] Log output of GPU accelerated GROMACS   Carsten Kutzner
• [gmx-users] Log output of GPU accelerated GROMACS   Mark Abraham
• [gmx-users] Net charge error   Siddhesh Kamat
• [gmx-users] Net charge error   Justin Lemkul
• [gmx-users] Obtaining PMF for change in domain position   Abhi Acharya
• [gmx-users] Particle decomposition from GMX 5.X on   Ilaria Mereu
• [gmx-users] Particle decomposition from GMX 5.X on   Mark Abraham
• [gmx-users] Particle decomposition from GMX 5.X on   Szilárd Páll
• [gmx-users] Particle decomposition from GMX 5.X on   Szilárd Páll
• [gmx-users] PCA projections using g_anaeig   James Starlight
• [gmx-users] PCA projections using g_anaeig   Tsjerk Wassenaar
• [gmx-users] PCA projections using g_anaeig   James Starlight
• [gmx-users] PCA projections using g_anaeig   Antonio Baptista
• [gmx-users] PCA projections using g_anaeig   Tsjerk Wassenaar
• [gmx-users] Performance difference between MPI ranks and OpenMP   Ebert Maximilian
• [gmx-users] Performance difference between MPI ranks and OpenMP   Carsten Kutzner
• [gmx-users] Performance difference between MPI ranks and OpenMP   Ebert Maximilian
• [gmx-users] Performance difference between MPI ranks and OpenMP   Carsten Kutzner
• [gmx-users] PME question in GMX4.6.5   Tom
• [gmx-users] PME question in GMX4.6.5   Mark Abraham
• [gmx-users] PME question in GMX4.6.5   Tom
• [gmx-users] PME question in GMX4.6.5   Mark Abraham
• [gmx-users] PME update   asasa qsqs
• [gmx-users] PME update   Carsten Kutzner
• [gmx-users] potential energy   mah maz
• [gmx-users] potential energy   Justin Lemkul
• [gmx-users] potential energy   mah maz
• [gmx-users] potential energy   Justin Lemkul
• [gmx-users] potential energy   mah maz
• [gmx-users] potential energy   Justin Lemkul
• [gmx-users] potential energy   mah maz
• [gmx-users] potential energy   Justin Lemkul
• [gmx-users] potential energy   mah maz
• [gmx-users] potential energy   Justin Lemkul
• [gmx-users] potential energy   mah maz
• [gmx-users] potential energy   Justin Lemkul
• [gmx-users] potential energy   mah maz
• [gmx-users] potential energy   Bogdan Costescu
• [gmx-users] potential energy   Bogdan Costescu
• [gmx-users] potential energy   mah maz
• [gmx-users] preparing pdb file   elham tazikeh
• [gmx-users] Pressure coupling error   Riccardo Concu
• [gmx-users] Pressure coupling error   Hardy, Adam
• [gmx-users] Pressure coupling error   Riccardo Concu
• [gmx-users] problem in centering of my protein in the box   nazli kashani javid
• [gmx-users] problem in centering of my protein in the box   Mark Abraham
• [gmx-users] Problem in energy minimization of Protein-ligand complex in Lipid membrane   Padmani Sandhu
• [gmx-users] QM/MM excited state optimization   xiao
• [gmx-users] QM/MM excited state optimization   Gerrit Groenhof
• [gmx-users] QM/MM excited state optimization   xiao
• [gmx-users] QM/MM excited state optimization (xiao)   Gerrit Groenhof
• [gmx-users] QM/MM excited state optimization (xiao)   xiao
• [gmx-users] Question   Igor Shchechkin
• [gmx-users] Question   Justin Lemkul
• [gmx-users] Questions about implementing REST in GROMACS 4.6.5   周双艳
• [gmx-users] RDF plot with large g(r) values   Kester Wong
• [gmx-users] RDF plot with large g(r) values   Justin Lemkul
• [gmx-users] RDF plot with large g(r) values   André Farias de Moura
• [gmx-users] RDF plot with large g(r) values   Kester Wong
• [gmx-users] RDF plot with large g(r) values   Kester Wong
• [gmx-users] RDF plot with large g(r) values   André Farias de Moura
• [gmx-users] Re PME question in GMX4.6.5   Tom
• [gmx-users] Re PME question in GMX4.6.5   Mark Abraham
• [gmx-users] recovering topology from tpr   Rebeca García Fandiño
• [gmx-users] recovering topology from tpr   Mark Abraham
• [gmx-users] recovering topology from tpr   M.Cristina Donnamaria
• [gmx-users] Reg: topology and parameter files for dichlormethane   Akshay Bhatnagar
• [gmx-users] Reg: topology and parameter files for dichlormethane   Eric Smoll
• [gmx-users] regarding Contact Existence Map   Nizar Masbukhin
• [gmx-users] regarding Contact Existence Map   Erik Marklund
• [gmx-users] Regarding g_cluster output.   Abhi Acharya
• [gmx-users] Regarding g_cluster output.   Justin Lemkul
• [gmx-users] regarding Ionic currents   Sathish Kumar
• [gmx-users] regarding Ionic currents   Mark Abraham
• [gmx-users] residues in force fields   shahab shariati
• [gmx-users] residues in force fields   Mark Abraham
• [gmx-users] residues in force fields   shahab shariati
• [gmx-users] REST2 tutorial   Shyno Mathew
• [gmx-users] Restarting crashed simulation   bharat gupta
• [gmx-users] restraint the CM of a molecules in any one of the directions.   Sridhar Kumar Kannam
• [gmx-users] restraint the CM of a molecules in any one of the directions.   Sridhar Kumar Kannam
• [gmx-users] restraint the CM of a molecules in any one of the directions.   Sridhar Kumar Kannam
• [gmx-users] restraint the CM of a molecules in any one of the directions.   Justin Lemkul
• [gmx-users] restraint the CM of a molecules in any one of the directions.   Justin Lemkul
• [gmx-users] restraint the CM of a molecules in any one of the directions.   Justin Lemkul
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Jiaqi Lin
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Mark Abraham
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Jiaqi Lin
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Szilárd Páll
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Szilárd Páll
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Jiaqi Lin
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Mark Abraham
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Mark Abraham
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Jiaqi Lin
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Mark Abraham
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Mark Abraham
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Jiaqi Lin
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Mark Abraham
• [gmx-users] results produced by auto-tuning of Coulomb cut-off/grid for PME can not be reproduced by manually setting the Coulomb cut-off and grid spacing   Mark Abraham
• [gmx-users] rotating triclinic box   felipe zapata
• [gmx-users] rotating triclinic box   Tsjerk Wassenaar
• [gmx-users] segfault in g_clustsize   Dr. Vitaly Chaban
• [gmx-users] segfault in g_clustsize   Dr. Vitaly Chaban
• [gmx-users] segfault in g_clustsize   Mark Abraham
• [gmx-users] segfault in g_clustsize   Dr. Vitaly Chaban
• [gmx-users] segfault in g_clustsize   Mark Abraham
• [gmx-users] Segmentation fault in g_sas with bigger probe   Francesco Carbone
• [gmx-users] Segmentation fault in g_sas with bigger probe   Francesco Carbone
• [gmx-users] Segmentation fault on HPC   Tomek Wlodarski
• [gmx-users] Segmentation fault on HPC   Mark Abraham
• [gmx-users] Segmentation fault on HPC   Tomek Wlodarski
• [gmx-users] Segmentation fault on HPC   Justin Lemkul
• [gmx-users] Significant differences in Ewald Vs PME for clay sheet   Mark Abraham
• [gmx-users] Significant differences in Ewald Vs PME for clay sheet   Gaurav Goel
• [gmx-users] Significant differences in Ewald Vs PME for clay sheet   Mark Abraham
• [gmx-users] Significant differences in Ewald Vs PME for clay sheet   Gaurav Goel
• [gmx-users] Simulations in triplicates.   B P
• [gmx-users] Simulations in triplicates.   ms
• [gmx-users] Simulations in triplicates.   David van der Spoel
• [gmx-users] Simulations in triplicates.   Mark Abraham
• [gmx-users] Simulations in triplicates.   B P
• [gmx-users] tabulated non-bonded potentials with replica exchange (potentials that change with temperature)   Christopher Neale
• [gmx-users] tabulated non-bonded potentials with replica exchange (potentials that change with temperature)   Mark Abraham
• [gmx-users] tabulated non-bonded potentials with replica exchange (potentials that change with temperature)   Christopher Neale
• [gmx-users] tabulated non-bonded potentials with replica exchange (potentials that change with temperature)   Christopher Neale
• [gmx-users] Test if Trajectories are Independent   Johnny Lu
• [gmx-users] The problem is fixed   Igor Shchechkin
• [gmx-users] There is a dangling bond at at least one of the terminal ends and the force field does not provide terminal entries or files   sang eun jee
• [gmx-users] There is a dangling bond at at least one of the terminal ends and the force field does not provide terminal entries or files   Mark Abraham
• [gmx-users] TIP4P equilibration   Aranha, Michelle
• [gmx-users] TIP4P equilibration   Mark Abraham
• [gmx-users] Too many LINCS warnings   Jennifer Vo
• [gmx-users] Too many LINCS warnings   Justin Lemkul
• [gmx-users] Topology file   Aranha, Michelle
• [gmx-users] Topology file   Tsjerk Wassenaar
• [gmx-users] Transition matrix generation   pratibha kapoor
• [gmx-users] Transition matrix generation   Adelman, Joshua Lev
• [gmx-users] trash error in linux   mah maz
• [gmx-users] trash error in linux   Mark Abraham
• [gmx-users] trash error in linux   mah maz
• [gmx-users] trjconv mismatch   Jennifer Vo
• [gmx-users] trjconv mismatch   Mark Abraham
• [gmx-users] trjconv mismatch   Jennifer Vo
• [gmx-users] trjconv mismatch   Tsjerk Wassenaar
• [gmx-users] trjconv mismatch in number of atoms   Jennifer Vo
• [gmx-users] trjconv mismatch in number of atoms   Justin Lemkul
• [gmx-users] Urea Topology   Sagar De'Biomimic
• [gmx-users] Using -all flag in g_angle command   GAYATHRI S
• [gmx-users] Using -all flag in g_angle command   Mark Abraham
• [gmx-users] Using -all flag in g_angle command   GAYATHRI S
• [gmx-users] Using -all flag in g_angle command   Mark Abraham
• [gmx-users] Using -all flag in g_angle command   GAYATHRI S
• [gmx-users] using charmm rtf and parameter files in gromacs   Sudharsan Sridharan
• [gmx-users] using charmm rtf and parameter files in gromacs   Justin Lemkul
• [gmx-users] Using COM pulling and Enforced Rotations together   Abhi Acharya
• [gmx-users] Using COM pulling and Enforced Rotations together   Carsten Kutzner
• [gmx-users] Using COM pulling and Enforced Rotations together   Abhi Acharya
• [gmx-users] Using do_dssp with GROMACS 4.6.7.   Agnivo Gosai
• [gmx-users] Using do_dssp with GROMACS 4.6.7.   Justin Lemkul
• [gmx-users] Using do_dssp with GROMACS 4.6.7.   Agnivo Gosai
• [gmx-users] using pull_geometry=cylinder for asymmetric pull-molecule   Alexandra Antipina
• [gmx-users] using pull_geometry=cylinder for asymmetric pull-molecule   Justin Lemkul
• [gmx-users] Virial Calculation in Gromacs Source Code   Hardy, Adam
• [gmx-users] Virial Calculation in Gromacs Source Code   Mark Abraham
• [gmx-users] Water mediated hydrogen bonding   suhani nagpal
• [gmx-users] Water mediated hydrogen bonding   Justin Lemkul
• [gmx-users] Water mediated hydrogen bonding   suhani nagpal
• [gmx-users] Water mediated hydrogen bonding   Justin Lemkul
• [gmx-users] Working on a GPU cluster with GROMACS 5   Ebert Maximilian
• [gmx-users] Working on a GPU cluster with GROMACS 5   Carsten Kutzner
• [gmx-users] Working on a GPU cluster with GROMACS 5   Ebert Maximilian
• [gmx-users] Working on a GPU cluster with GROMACS 5   Jiri Kraus
• [gmx-users] Working on a GPU cluster with GROMACS 5   Ebert Maximilian
• [gmx-users] Working on a GPU cluster with GROMACS 5   Ebert Maximilian
• [gmx-users] Wrong profile obtained in umbrella sampling tutorial   Victor Rosas Garcia
• [gmx-users] Wrong profile obtained in umbrella sampling tutorial   Justin Lemkul
• [gmx-users] Wrong profile obtained in umbrella sampling tutorial   Victor Rosas Garcia

Last message date: Sat Jan 31 23:35:56 CET 2015
Archived on: Sat Jan 31 23:35:57 CET 2015

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