October 2016 Archives by date

Messages sorted by: [ thread ] [ subject ] [ author ]
More info on this list...

Starting: Sat Oct 1 04:49:39 CEST 2016
Ending: Mon Oct 31 23:58:40 CET 2016
Messages: 583

[gmx-users] Using x2top and grompp Devon Dillon
[gmx-users] Using x2top and grompp Mark Abraham
[gmx-users] mail about installation og gromacs 4.6.1 subramanian vidhyasankar
[gmx-users] Finding free energy differences between conformation clusters on plumed Billy Williams-Noonan
[gmx-users] g_membed failure Sophia Kuriakidi
[gmx-users] g_membed failure Mark Abraham
[gmx-users] Simulating PMMA Karel de Vries
[gmx-users] energy minimisation - LINCS WARNING Nash, Anthony
[gmx-users] energy minimisation - LINCS WARNING Justin Lemkul
[gmx-users] moleculaes breaking off after EM - help Thejus Kartha
[gmx-users] restarting the crashed run Roshan Shrestha
[gmx-users] gromacs mdrun problem ISHRAT JAHAN
[gmx-users] gromacs mdrun problem Mark Abraham
[gmx-users] restarting the crashed run Mark Abraham
[gmx-users] segmentation fault in md ISHRAT JAHAN
[gmx-users] mail about installation og gromacs 4.6.1 Mark Abraham
[gmx-users] g_membed failure Sophia Kuriakidi
[gmx-users] energy minimisation - LINCS WARNING Nash, Anthony
[gmx-users] energy minimisation - LINCS WARNING Mark Abraham
[gmx-users] energy minimisation - LINCS WARNING Nash, Anthony
[gmx-users] moleculaes breaking off after EM - help Justin Lemkul
[gmx-users] segmentation fault in md Justin Lemkul
[gmx-users] Protein Membrane SImulation using CHARMM 36 forcefield Roshan Shrestha
[gmx-users] Protein Membrane SImulation using CHARMM 36 forcefield Justin Lemkul
[gmx-users] Errors in building gromacs 5.0.4 MPI version Steve Seibold
[gmx-users] Point charges? Marko S
[gmx-users] Point charges? Justin Lemkul
[gmx-users] problem with gmx energy ali.khourshaei71 at student.sharif.edu
[gmx-users] problem with gmx energy ali.khourshaei71 at student.sharif.edu
[gmx-users] Gromacs Relative Free Energy Calculation Issue Guanglin Kuang
[gmx-users] Gromacs Relative Free Energy Calculation Issue Mark Abraham
[gmx-users] Gromacs Relative Free Energy Calculation Issue Mark Abraham
[gmx-users] Gromacs Relative Free Energy Calculation Issue Guanglin Kuang
[gmx-users] ion parameters in amber99sb Irem Altan
[gmx-users] Gromacs Relative Free Energy Calculation Issue Hannes Loeffler
[gmx-users] Command question Xiaoyun Yuan
[gmx-users] Restart after crash Roshan Shrestha
[gmx-users] gmx make_ndx - separating pulling groups by fragments vprytkov
[gmx-users] D- &/or L- cmap for charmm36 (gromacs.org_gmx-users Digest, Vol 149, Issue 71) HENRY WITTLER
[gmx-users] Point charges? Marko S
[gmx-users] Point charges? Mark Abraham
[gmx-users] Restart after crash Mark Abraham
[gmx-users] Command question Mark Abraham
[gmx-users] Gromacs Relative Free Energy Calculation Issue Hannes Loeffler
[gmx-users] Fatal Error while using CHARMM 36 force field Roshan Shrestha
[gmx-users] Free energy calculation problem with too high dG Vlad
[gmx-users] Free energy calculation problem with too high dG Hannes Loeffler
[gmx-users] Free energy calculation problem with too high dG Vlad
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] Fatal Error while using CHARMM 36 force field Justin Lemkul
[gmx-users] D- &/or L- cmap for charmm36 (gromacs.org_gmx-users Digest, Vol 149, Issue 71) Justin Lemkul
[gmx-users] gmx make_ndx - separating pulling groups by fragments Justin Lemkul
[gmx-users] Free energy calculation problem with too high dG Hannes Loeffler
[gmx-users] Free energy calculation problem with too high dG Vlad
[gmx-users] Different Results with Different Platforms Mark Abraham
[gmx-users] Free energy calculation problem with too high dG Hannes Loeffler
[gmx-users] ion parameters in amber99sb Irem Altan
[gmx-users] Free energy calculation problem with too high dG Vlad
[gmx-users] ion parameters in amber99sb Mark Abraham
[gmx-users] Angular probability function João Henriques
[gmx-users] Angular probability function João Henriques
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] ion parameters in amber99sb Irem Altan
[gmx-users] ion parameters in amber99sb Justin Lemkul
[gmx-users] Different Results with Different Platforms Justin Lemkul
[gmx-users] Electron Density Sanket Ghawali
[gmx-users] Different Results with Different Platforms Mark Abraham
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] Different Results with Different Platforms Justin Lemkul
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] mail about g_select tool subramanian vidhyasankar
[gmx-users] Different Results with Different Platforms Szilárd Páll
[gmx-users] Electron Density David van der Spoel
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] Replica Exchange MD Kalyanashis Jana
[gmx-users] continuing a run, no .cpt file generated shivangi nangia
[gmx-users] g_spatial Problem Christopher Neale
[gmx-users] g_spatial Problem Rubaiyet Abedin
[gmx-users] moleculaes breaking off after EM - help Thejus Kartha
[gmx-users] g_spatial Problem Christopher Neale
[gmx-users] Regarding Force field Sathish Kumar
[gmx-users] Replica Exchange MD Sotirios Dionysios I. Papadatos
[gmx-users] Gromacs Relative Free Energy Calculation Issue Guanglin Kuang
[gmx-users] segmentation fault with unusually high temperature and energy values Sahithya S Iyer
[gmx-users] Gromacs Relative Free Energy Calculation Issue Hannes Loeffler
[gmx-users] Gromacs Relative Free Energy Calculation Issue Hannes Loeffler
[gmx-users] Replica Exchange MD Kalyanashis Jana
[gmx-users] Replica Exchange MD Mark Abraham
[gmx-users] Gromacs Relative Free Energy Calculation Issue Guanglin Kuang
[gmx-users] Gromacs Relative Free Energy Calculation Issue Hannes Loeffler
[gmx-users] Replica Exchange MD Kalyanashis Jana
[gmx-users] moleculaes breaking off after EM - help Justin Lemkul
[gmx-users] Replica Exchange MD Mark Abraham
[gmx-users] Regarding Force field Justin Lemkul
[gmx-users] segmentation fault with unusually high temperature and energy values Justin Lemkul
[gmx-users] moleculaes breaking off after EM - help Justin Lemkul
[gmx-users] moleculaes breaking off after EM - help Thejus Kartha
[gmx-users] moleculaes breaking off after EM - help Justin Lemkul
[gmx-users] refinement of homology-based protein structure Mahboobeh Eslami
[gmx-users] Regarding Fatal error Kamal Chaudhary
[gmx-users] Regarding Fatal error Justin Lemkul
[gmx-users] g_spatial Problem Rubaiyet Abedin
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] pulling time Alexander Alexander
[gmx-users] Different Results with Different Platforms jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] Different Results with Different Platforms Justin Lemkul
[gmx-users] pulling time Justin Lemkul
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] Different Results with Different Platforms Justin Lemkul
[gmx-users] Topology question Xiaoyun Yuan
[gmx-users] Fatal error Invalid pairs 5 Devon
[gmx-users] high-temperature MD YanhuaOuyang
[gmx-users] Replica Exchange MD Kalyanashis Jana
[gmx-users] PMF of a short peptide on a solid surface Alexander Alexander
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] Different Results with Different Platforms Justin Lemkul
[gmx-users] high-temperature MD Justin Lemkul
[gmx-users] Fatal error Invalid pairs 5 Justin Lemkul
[gmx-users] mdrun don't write a checkpoint file Menig, Simon
[gmx-users] Different Results with Different Platforms Kelechi Okoroafor
[gmx-users] mdrun don't write a checkpoint file Justin Lemkul
[gmx-users] mdrun don't write a checkpoint file Menig, Simon
[gmx-users] high-temperature MD OuyangYanhua
[gmx-users] mail regarding installation of geomacs5.1.2 subramanian vidhyasankar
[gmx-users] mdrun don't write a checkpoint file Justin Lemkul
[gmx-users] high-temperature MD Justin Lemkul
[gmx-users] mail regarding installation of geomacs5.1.2 Justin Lemkul
[gmx-users] mdrun don't write a checkpoint file Menig, Simon
[gmx-users] Gromacs GMX_BUILD_FFTW warning in building Gromas 5.0.4 Steve Seibold
[gmx-users] g_spatial Problem Christopher Neale
[gmx-users] high-temperature MD Christopher Neale
[gmx-users] fatal error invalid pairs 5 Devon Dillon
[gmx-users] Gromacs GMX_BUILD_FFTW warning in building Gromas 5.0.4 Justin Lemkul
[gmx-users] fatal error invalid pairs 5 Justin Lemkul
[gmx-users] nonbonded molecules and atoms sumair ahmed
[gmx-users] Problem with gmx genion Live King
[gmx-users] high-temperature MD OuyangYanhua
[gmx-users] Umbrella sampling tutorial gozde ergin
[gmx-users] principal component analysis chain break 胡杰
[gmx-users] principal component analysis chain break Tsjerk Wassenaar
[gmx-users] nonbonded molecules and atoms Justin Lemkul
[gmx-users] Problem with gmx genion Justin Lemkul
[gmx-users] Umbrella sampling tutorial Justin Lemkul
[gmx-users] Umbrella sampling tutorial gozde ergin
[gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 35 胡杰
[gmx-users] Capping the termini of a protein soumadwip ghosh
[gmx-users] Errors during energy minimization of POPC membrane Roshan Shrestha
[gmx-users] GPU performance question Irem Altan
[gmx-users] GPU performance question Mark Abraham
[gmx-users] Editconf module and manual editing Thejus Kartha
[gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output? Jones de Andrade
[gmx-users] Capping the termini of a protein Justin Lemkul
[gmx-users] Errors during energy minimization of POPC membrane Justin Lemkul
[gmx-users] Editconf module and manual editing Justin Lemkul
[gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output? Justin Lemkul
[gmx-users] Errors during energy minimization of POPC membrane Roshan Shrestha
[gmx-users] help to install gromacs in a windows system Arnauld Robert Tapa
[gmx-users] Unknown bond_atomtype CAY Sameer Edirisinghe
[gmx-users] gromacs build options Mahmood Naderan
[gmx-users] gromacs build options Mark Abraham
[gmx-users] gromacs build options Mark Abraham
[gmx-users] gromacs build options Mahmood Naderan
[gmx-users] gromacs build options Mark Abraham
[gmx-users] gromacs build options Mahmood Naderan
[gmx-users] gromacs build options Mark Abraham
[gmx-users] Installation of gromacs 5.1.4 in a windows system Arnauld Robert Tapa
[gmx-users] Errors during energy minimization of POPC membrane Justin Lemkul
[gmx-users] Unknown bond_atomtype CAY Justin Lemkul
[gmx-users] principal component analysis chain break (Tsjerk Wassenaar) 胡杰
[gmx-users] principal component analysis chain break (Tsjerk Wassenaar) Tsjerk Wassenaar
[gmx-users] gromacs build options Mahmood Naderan
[gmx-users] gromacs build options Mark Abraham
[gmx-users] gromacs build options Mahmood Naderan
[gmx-users] gromacs build options Mark Abraham
[gmx-users] Errors during energy minimization of POPC membrane Justin Lemkul
[gmx-users] gromacs build options Mahmood Naderan
[gmx-users] PMF and lack if NPT equilibration Alex
[gmx-users] Catenation of trajectories Sun Iba
[gmx-users] gromacs build options Mark Abraham
[gmx-users] Catenation of trajectories Mark Abraham
[gmx-users] refinement of homology-based protein structure Mahboobeh Eslami
[gmx-users] Tabulated dihedral potential Parvez Mh
[gmx-users] Tabulated dihedral potential Mark Abraham
[gmx-users] Tabulated dihedral potential Mark Abraham
[gmx-users] Installation of gromacs 5.1.4 in a windows system Nikhil Maroli
[gmx-users] gromacs build options Mahmood Naderan
[gmx-users] gromacs build options Mark Abraham
[gmx-users] gromacs build options Mahmood Naderan
[gmx-users] Multithread run issues Mahmood Naderan
[gmx-users] principal component analysis chain break (Tsjerk Wassenaar) 胡杰
[gmx-users] Multithread run issues Mark Abraham
[gmx-users] problem with gmx genconf? Thejus Kartha
[gmx-users] problem with gmx genconf? Justin Lemkul
[gmx-users] PMF and lack if NPT equilibration Justin Lemkul
[gmx-users] problem with gmx genconf? Thejus Kartha
[gmx-users] problem with gmx genconf? Justin Lemkul
[gmx-users] problem with gmx genconf? Thejus Kartha
[gmx-users] problem with gmx genconf? Justin Lemkul
[gmx-users] problem encountered during installation, the AVX2_256support 张敏华
[gmx-users] US Simulation : profile and histogram Nikhil Maroli
[gmx-users] .itp file error sumair ahmed
[gmx-users] PMF and lack if NPT equilibration Alex
[gmx-users] Multithread run issues Mahmood Naderan
[gmx-users] Multithread run issues Mark Abraham
[gmx-users] Multithread run issues Mahmood Naderan
[gmx-users] Multithread run issues Mahmood Naderan
[gmx-users] Multithread run issues Mark Abraham
[gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output? Jones de Andrade
[gmx-users] GPU Hardware recommendations Sebastian Stammler
[gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output? Jones de Andrade
[gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output? Justin Lemkul
[gmx-users] GPU Hardware recommendations Justin Lemkul
[gmx-users] PMF and lack if NPT equilibration Justin Lemkul
[gmx-users] .itp file error Justin Lemkul
[gmx-users] US Simulation : profile and histogram Justin Lemkul
[gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output? Jones de Andrade
[gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output? Justin Lemkul
[gmx-users] GPU Hardware recommendations Sebastian Stammler
[gmx-users] gmx energy -fluct_rprops (gmx 5.1.2): output? Jones de Andrade
[gmx-users] GPU Hardware recommendations Mark Abraham
[gmx-users] PMF and lack if NPT equilibration Alex
[gmx-users] calculate cross correlation function in hydrogen bond dynamics, Luzar and Chandler analysis (gmx hbond) Jiannan Liu
[gmx-users] gromacs 2016 vs 5.1.4 Nikhil Maroli
[gmx-users] gromacs 2016 vs 5.1.4 Erik Marklund
[gmx-users] gromacs 2016 vs 5.1.4 Mark Abraham
[gmx-users] demux.pl YanhuaOuyang
[gmx-users] PMF Alex
[gmx-users] demux.pl Mark Abraham
[gmx-users] mdp file of membrane simulation Mijiddorj Batsaikhan
[gmx-users] mdp file of membrane simulation Nikhil Maroli
[gmx-users] Mass and charge data are missing in [ atomtypes ] section. Dd H
[gmx-users] Mass and charge data are missing in [ atomtypes ] section. Alan
[gmx-users] Mass and charge data are missing in [ atomtypes ] section. Dd H
[gmx-users] Mass and charge data are missing in [ atomtypes ] section. Alan
[gmx-users] pull code geometry direction Fabian Knoch
[gmx-users] Mass and charge data are missing in [ atomtypes ] section. Dd H
[gmx-users] Mass and charge data are missing in [ atomtypes ] section. Alan
[gmx-users] changes of orientation with respect to time Nikhil Maroli
[gmx-users] GPU Hardware recommendations Yahya S
[gmx-users] Fine tune the RDF of water around a dummy metal Nash, Anthony
[gmx-users] Fine tune the RDF of water around a dummy metal Justin Lemkul
[gmx-users] changes of orientation with respect to time Justin Lemkul
[gmx-users] pull code geometry direction Justin Lemkul
[gmx-users] PMF Justin Lemkul
[gmx-users] PMF and lack if NPT equilibration Justin Lemkul
[gmx-users] Fine tune the RDF of water around a dummy metal Nash, Anthony
[gmx-users] Fine tune the RDF of water around a dummy metal Justin Lemkul
[gmx-users] D- &/or L- cmap for charmm36 HENRY WITTLER
[gmx-users] D- &/or L- cmap for charmm36 Justin Lemkul
[gmx-users] Mass and charge data are missing in [ atomtypes ] section. Dd H
[gmx-users] Recruiting a postdoc for GROMACS improvements and development Michael Shirts
[gmx-users] PMF Alex
[gmx-users] Fwd: Questions for the forum Matilde Viegas
[gmx-users] Fwd: Questions for the forum Dd H
[gmx-users] Fwd: Questions for the forum Matilde Viegas
[gmx-users] Thermodynamic integration and re-weighting method gozde ergin
[gmx-users] Fwd: Questions for the forum Justin Lemkul
[gmx-users] Mass and charge data are missing in [ atomtypes ] section. Justin Lemkul
[gmx-users] PMF Justin Lemkul
[gmx-users] Mass and charge data are missing in [ atomtypes ] section. Dd H
[gmx-users] PMF Alex
[gmx-users] Free energy change and volume of the box Alex
[gmx-users] Fwd: Questions for the forum Matilde Viegas
[gmx-users] Fwd: Questions for the forum Justin Lemkul
[gmx-users] Thermodynamic integration and re-weighting method gozde ergin
[gmx-users] Fwd: Questions for the forum Matilde Viegas
[gmx-users] Fwd: Questions for the forum Justin Lemkul
[gmx-users] doubt regarding mdp option for rerun Tushar Ranjan Moharana
[gmx-users] doubt regarding mdp option for rerun Justin Lemkul
[gmx-users] Fwd: Questions for the forum Matilde Viegas
[gmx-users] Fwd: Questions for the forum Mark Abraham
[gmx-users] Fwd: Questions for the forum Matilde Viegas
[gmx-users] Fwd: Questions for the forum jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Fwd: Questions for the forum Stéphane Téletchéa
[gmx-users] Free energy change and volume of the box Hannes Loeffler
[gmx-users] Free energy change and volume of the box BOSISIO Stefano
[gmx-users] trr file Rita Paiva Melo
[gmx-users] trr file Nuno Azoia
[gmx-users] trr file jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] trr file Rita Paiva Melo
[gmx-users] trr file Nuno Azoia
[gmx-users] trr file Mark Abraham
[gmx-users] QMMM install on GMX5.1 Xianchi Dong
[gmx-users] trr file tasneem kausar
[gmx-users] Dielectric constant calculation Thejus Kartha
[gmx-users] GROMACS mdrun Shilpa Janarthanan
[gmx-users] trr file Diana Lousa
[gmx-users] GROMACS mdrun Mark Abraham
[gmx-users] Dielectric constant calculation David van der Spoel
[gmx-users] QMMM install on GMX5.1 (Xianchi Dong) Clinton King
[gmx-users] parameters for PbSe (quantum dot) SAKO MIRZAIE
[gmx-users] trr file Dan Gil
[gmx-users] Dielectric constant calculation Thejus Kartha
[gmx-users] mdp Mouri Ahmed
[gmx-users] mdp file Mouri Ahmed
[gmx-users] water model Parvez Mh
[gmx-users] Low cpu utilization Mahmood Naderan
[gmx-users] Low cpu utilization Parvez Mh
[gmx-users] Low cpu utilization Mahmood Naderan
[gmx-users] mdp Parvez Mh
[gmx-users] Low cpu utilization Mahmood Naderan
[gmx-users] Low cpu utilization Parvez Mh
[gmx-users] Low cpu utilization Mark Abraham
[gmx-users] water model Mark Abraham
[gmx-users] Low cpu utilization Mahmood Naderan
[gmx-users] Low cpu utilization Mark Abraham
[gmx-users] parameters for PbSe (quantum dot) Justin Lemkul
[gmx-users] mdp Justin Lemkul
[gmx-users] parameters for PbSe (quantum dot) SAKO MIRZAIE
[gmx-users] Continuing simulation with velocities and positions of equilibrated run and after modifying .mdp Bappa Ghosh
[gmx-users] Continuing simulation with velocities and positions of equilibrated run and after modifying .mdp Mark Abraham
[gmx-users] parameters for PbSe (quantum dot) André Farias de Moura
[gmx-users] QMMM install on GMX5.1 (Xianchi Dong) Xianchi Dong
[gmx-users] QMMM install on GMX5.1 (Xianchi Dong) Andrew Guy
[gmx-users] QMMM install on GMX5.1 (Xianchi Dong) Xianchi Dong
[gmx-users] QMMM install on GMX5.1 (Xianchi Dong) Andrew Guy
[gmx-users] Low cpu utilization Mahmood Naderan
[gmx-users] Low cpu utilization Mahmood Naderan
[gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 68 Timofey Tyugashev
[gmx-users] QMMM install on GMX5.1 Sunil Pokharel
[gmx-users] g_membed failure Sophia Kuriakidi
[gmx-users] Low cpu utilization Mahmood Naderan
[gmx-users] g_membed failure Tsjerk Wassenaar
[gmx-users] Low cpu utilization Mark Abraham
[gmx-users] Mixed Solvents on gromacs v5 Mijiddorj Batsaikhan
[gmx-users] Mixed Solvents on gromacs v5 Justin Lemkul
[gmx-users] Free energy - FEP Alex
[gmx-users] Thermodynamic integration and re-weighting method gozde ergin
[gmx-users] Thermodynamic integration and re-weighting method Alex
[gmx-users] Free energy - FEP Hannes Loeffler
[gmx-users] pressure coupling pari lotfi
[gmx-users] mdp Mouri Ahmed
[gmx-users] mdp Mark Abraham
[gmx-users] pressure coupling Peter Kroon
[gmx-users] Thermodynamic integration and re-weighting method gozde ergin
[gmx-users] Computational Electrophysiology: how about implicit solvent? Vries, de, H.W.
[gmx-users] How to decrease the time gap between frames of an already made simulation Marko Sever
[gmx-users] How to decrease the time gap between frames of an already made simulation Smith, Micholas D.
[gmx-users] Computational Electrophysiology: how about implicit solvent? Kutzner, Carsten
[gmx-users] gmx mdrun restart Sailesh Bataju
[gmx-users] gmx mdrun restart Mark Abraham
[gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2 Chapman, Christopher W.
[gmx-users] gmx mdrun restart Sailesh Bataju
[gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2 Mark Abraham
[gmx-users] gmx mdrun restart Mark Abraham
[gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2 Chapman, Christopher W.
[gmx-users] How to decrease the time gap between frames of an already made simulation Marko Sever
[gmx-users] How to decrease the time gap between frames of an already made simulation Smith, Micholas D.
[gmx-users] How to decrease the time gap between frames of an already made simulation Mark Abraham
[gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2 Justin Lemkul
[gmx-users] mpirun error Sun Iba
[gmx-users] mpirun error Andrew Guy
[gmx-users] mpirun error Sun Iba
[gmx-users] How to decrease the time gap between frames of an already made simulation Marko Sever
[gmx-users] How to decrease the time gap between frames of an already made simulation Mark Abraham
[gmx-users] GROMACS simulation with GPU at different nodes 오태환
[gmx-users] GROMACS simulation with GPU at different nodes Mark Abraham
[gmx-users] GROMACS simulation with GPU at different nodes TaeHwan OH
[gmx-users] GROMACS simulation with GPU at different nodes Mark Abraham
[gmx-users] GROMACS simulation with GPU at different nodes Mark Abraham
[gmx-users] mpirun error Timofey Tyugashev
[gmx-users] mpirun error Nikhil Maroli
[gmx-users] Pore Size Sanket Ghawali
[gmx-users] Pore Size Pierre Ghesquiere
[gmx-users] How to decrease the time gap between frames of an already made simulation Marko Sever
[gmx-users] How to remove ions from, and from which file in the finished simulation? Marko Sever
[gmx-users] How to remove ions from, and from which file in the finished simulation? Justin Lemkul
[gmx-users] Negative pressure in an interface NVT simulation Surya Prakash Tiwari
[gmx-users] RMSDs between pairs of frames in 2 trajectories Abramyan, Tigran
[gmx-users] Difference between POPI and DOPI membranes? and about lipid headgroups Mijiddorj Batsaikhan
[gmx-users] Difference between POPI and DOPI membranes? and about lipid headgroups jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] Pore Size Sanket Ghawali
[gmx-users] Carbon double bond in Gromos Faust SHI
[gmx-users] gromacs 2016 make check errors... Anna Vernon
[gmx-users] make check error Anna Vernon
[gmx-users] Difference between POPI and DOPI membranes? and about lipid headgroups Mijiddorj Batsaikhan
[gmx-users] Carbon double bond in Gromos Sotirios Dionysios I. Papadatos
[gmx-users] Carbon double bond in Gromos Sotirios Dionysios I. Papadatos
[gmx-users] QM/MM Adamu, Aliyu
[gmx-users] Constraint COM of water droplet at specific position with Umbrella sampling simulation Bui, Tai
[gmx-users] Mac Support Reza Esmaeili
[gmx-users] Mac Support Mark Abraham
[gmx-users] Mac Support Mark Abraham
[gmx-users] Mac Support Szilárd Páll
[gmx-users] Mac Support Szilárd Páll
[gmx-users] Mac Support Felipe Merino
[gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2 Chapman, Christopher W.
[gmx-users] TIP4P/2005f parameter modification in Gromacs 5.1.2 Justin Lemkul
[gmx-users] QM/MM (Adamu, Aliyu) Groenhof, Gerrit
[gmx-users] make check error Mark Abraham
[gmx-users] make check error Mark Abraham
[gmx-users] Mac Support Szilárd Páll
[gmx-users] Mac Support Mark Abraham
[gmx-users] Difference between POPI and DOPI membranes? and about lipid headgroups jkrieger at mrc-lmb.cam.ac.uk
[gmx-users] mdp file of membrane simulation Mijiddorj Batsaikhan
[gmx-users] mdp file of membrane simulation Justin Lemkul
[gmx-users] gmx velacc does not calculate on "too often saved" files? Jones de Andrade
[gmx-users] gmx velacc does not calculate on "too often saved" files? Jones de Andrade
[gmx-users] make check error Anna Vernon
[gmx-users] make check error Mark Abraham
[gmx-users] make check error Anna Vernon
[gmx-users] make check error Mark Abraham
[gmx-users] make check error Anna Vernon
[gmx-users] Dielectric constant Thejus Kartha
[gmx-users] mdp file of membrane simulation Mijiddorj Batsaikhan
[gmx-users] Dielectric constant Justin Lemkul
[gmx-users] Dielectric constant Justin Lemkul
[gmx-users] Normal mode analysis in solvent: Hessian of protein only Rachel Baarda
[gmx-users] gromacs 4.6 mpirun mdrun_mpi poor output performance shubhandra tripathi
[gmx-users] Dielectric constant Thejus Kartha
[gmx-users] gromacs 4.6 mpirun mdrun_mpi poor output performance Mark Abraham
[gmx-users] make check error Mark Abraham
[gmx-users] Fwd: make check error Anna Lappala
[gmx-users] Fwd: make check error Mark Abraham
[gmx-users] Fwd: make check error Anna Vernon
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] Fwd: make check error Mark Abraham
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] Switching Group to Verlet Mark Abraham
[gmx-users] Switching Group to Verlet Mark Abraham
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] Switching Group to Verlet Mark Abraham
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] Switching Group to Verlet Mark Abraham
[gmx-users] Re-center the trajectory gozde ergin
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] Switching Group to Verlet Mark Abraham
[gmx-users] Bond distance and H bonds Sameer Edirisinghe
[gmx-users] Umbrella sampling tutorial gozde ergin
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] Switching Group to Verlet Mario Fernández Pendás
[gmx-users] Error in mdrun Harimuthu
[gmx-users] D-amino acids' force fields Mijiddorj Batsaikhan
[gmx-users] D-amino acids' force fields Tsjerk Wassenaar
[gmx-users] Bond distance and H bond Sameer Edirisinghe
[gmx-users] nt/ntmpi/ntomp Mahmood Naderan
[gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 98 Harimuthu
[gmx-users] Negative average pressure value after NPT equilibration Dario Akaberi
[gmx-users] Negative average pressure value after NPT equilibration Mark Abraham
[gmx-users] Negative average pressure value after NPT equilibration Mark Abraham
[gmx-users] Switching Group to Verlet Mark Abraham
[gmx-users] nt/ntmpi/ntomp Mark Abraham
[gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 98 Harimuthu
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] nt/ntmpi/ntomp Mark Abraham
[gmx-users] Switching Group to Verlet Mark Abraham
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] D-amino acids' force field Mijiddorj Batsaikhan
[gmx-users] renaming DILE to ILE for Charmm27? Mijiddorj Batsaikhan
[gmx-users] Minimization and Equilibration in PMF Alex
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] Switching Group to Verlet Mark Abraham
[gmx-users] Bond distance and H bond Samith Rathnayake
[gmx-users] Switching Group to Verlet Mahmood Naderan
[gmx-users] Negative average pressure value after NPT equilibration Dario Akaberi
[gmx-users] Negative average pressure value after NPT equilibration Dario Akaberi
[gmx-users] van Hove correlation function Bin Li
[gmx-users] renaming DILE to ILE for Charmm27? Mijiddorj Batsaikhan
[gmx-users] renaming DILE to ILE for Charmm27? Justin Lemkul
[gmx-users] Minimization and Equilibration in PMF Justin Lemkul
[gmx-users] Dielectric constant Justin Lemkul
[gmx-users] Error in mdrun Justin Lemkul
[gmx-users] Negative average pressure value after NPT equilibration Justin Lemkul
[gmx-users] mdp Mouri Ahmed
[gmx-users] D-amino acids' force fields Mijiddorj Batsaikhan
[gmx-users] Molecular dynamic simulations of Protein-DNA complex Khadija Amine
[gmx-users] distance restraint Mouri Ahmed
[gmx-users] Molecular dynamic simulations of Protein-DNA complex Erik Marklund
[gmx-users] D-amino acids' force fields Tsjerk Wassenaar
[gmx-users] Molecular dynamic simulations of Protein-DNA complex Khadija Amine
[gmx-users] Molecular dynamic simulations of Protein-DNA complex Mark Abraham
[gmx-users] Fwd: gmx velacc does not calculate on "too often saved" files? Jones de Andrade
[gmx-users] adding dithiothreitol to amber03 Irem Altan
[gmx-users] adding dithiothreitol to amber03 Mark Abraham
[gmx-users] mpi.h fatal error. Anna Vernon
[gmx-users] mpi.h fatal error. Anna Vernon
[gmx-users] Restraint Mouri Ahmed
[gmx-users] restraint Mouri Ahmed
[gmx-users] restraint Justin Lemkul
[gmx-users] restraint Mouri Ahmed
[gmx-users] restraint Justin Lemkul
[gmx-users] restraint Mouri Ahmed
[gmx-users] gmx_mpi insert-molecules shahab shariati
[gmx-users] gmx_mpi insert-molecules Justin Lemkul
[gmx-users] mpi.h fatal error. Mark Abraham
[gmx-users] Structure Breaking during minimization Apramita Chand
[gmx-users] Structure Breaking during minimization Justin Lemkul
[gmx-users] protein-protein complex gets "separated" in EM step Gregor Hagelüken
[gmx-users] protein-protein complex gets "separated" in EM step Justin Lemkul
[gmx-users] Trouble compiling gromacs 5.1.2 with plumed 2.2.3 Anna Vernon
[gmx-users] Free energy change Alex
[gmx-users] protein-protein complex gets "separated" in EM step Gregor Hagelueken
[gmx-users] Trouble compiling gromacs 5.1.2 with plumed 2.2.3 Mark Abraham
[gmx-users] mdrun_mpi performance Steve Seibold
[gmx-users] steinhardt order parameter Sahithya Iyer
[gmx-users] Fwd: Trouble compiling gromacs 5.1.2 with plumed 2.2.3 Anna Vernon
[gmx-users] mdrun_mpi performance Justin Lemkul
[gmx-users] Center of mass Mouri Ahmed
[gmx-users] Center of mass Mouri Ahmed
[gmx-users] Center of mass Justin Lemkul
[gmx-users] Center of mass Mouri Ahmed
[gmx-users] Two different force field use in one simulation? Mijiddorj Batsaikhan
[gmx-users] Two different force field use in one simulation? Justin Lemkul
[gmx-users] Partial charges correction from PRODRG gozde ergin
[gmx-users] Two different force field use in one simulation? Mijiddorj Batsaikhan
[gmx-users] Two different force field use in one simulation? Justin Lemkul
[gmx-users] Partial charges correction from PRODRG Justin Lemkul
[gmx-users] gromacs 4.6.7 patched with plumed 2.1.5 plumed replica exchange: The number of nodes (1) is not a multiple of the number of simulations (2) Anna Vernon
[gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt 张慧玲
[gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt Billy Williams-Noonan
[gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt Billy Williams-Noonan
[gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt Justin Lemkul
[gmx-users] US cycl. PMF WHAM Jens Krüger
[gmx-users] Structure breaking during minimization Apramita Chand
[gmx-users] Structure breaking during minimization Justin Lemkul
[gmx-users] Negative average pressure value after NPT equilibration Dario Akaberi
[gmx-users] problem with -select flag in gmx distance Irem Altan
[gmx-users] Questions about free energy calculation tutorial gozde ergin
[gmx-users] Can't find alchemical-gromacs.py CROUZY Serge 119222
[gmx-users] Pulling error faride badalkhani
[gmx-users] Question about system equilibration José Manuel Suárez Sierra
[gmx-users] Md simulation error maria khan
[gmx-users] KALP15 in DPPC Analysis section Sailesh Bataju
[gmx-users] Negative average pressure value after NPT equilibration Justin Lemkul
[gmx-users] problem with -select flag in gmx distance Justin Lemkul
[gmx-users] Questions about free energy calculation tutorial Justin Lemkul
[gmx-users] Can't find alchemical-gromacs.py Justin Lemkul
[gmx-users] Question about system equilibration Justin Lemkul
[gmx-users] Md simulation error Justin Lemkul
[gmx-users] KALP15 in DPPC Analysis section Justin Lemkul
[gmx-users] problem with backward to construct a CHARMM36 model ABEL Stephane 175950
[gmx-users] Questions about free energy calculation tutorial gozde ergin
[gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 114 张慧玲
[gmx-users] Questions about free energy calculation tutorial Justin Lemkul
[gmx-users] Questions about free energy calculation tutorial gozde ergin
[gmx-users] LINCS warming, but continued EM Mijiddorj Batsaikhan
[gmx-users] LINCS warming, but continued EM Justin Lemkul
[gmx-users] Drude force field Xianchi Dong
[gmx-users] Drude force field Justin Lemkul
[gmx-users] Drude force field Xianchi Dong
[gmx-users] md simulation by gromacs. maria khan
[gmx-users] md simulation by gromacs. Justin Lemkul
[gmx-users] Drude force field Justin Lemkul
[gmx-users] Drude force field Xianchi Dong
[gmx-users] Drude force field Justin Lemkul
[gmx-users] pmf Alex
[gmx-users] pmf Justin Lemkul
[gmx-users] pmf Alex
[gmx-users] GROMACS 2016.1 released Mark Abraham
[gmx-users] gromacs.org_gmx-users Digest, Vol 150, Issue 114 张慧玲
[gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt 张慧玲
[gmx-users] GROMACS 2016.1 released Nikhil Maroli
[gmx-users] Md simulation error maria khan
[gmx-users] LINCS warming, but continued EM Mijiddorj Batsaikhan
[gmx-users] nvidia tesla p100 Irem Altan
[gmx-users] nvidia tesla p100 Mark Abraham
[gmx-users] pmf Justin Lemkul
[gmx-users] HELP：how could the simulation restarted from md*_prev.cpt rather than the md*.cpt Justin Lemkul
[gmx-users] Md simulation error Justin Lemkul
[gmx-users] LINCS warming, but continued EM Justin Lemkul
[gmx-users] Orienting molecule in a correct direction faride badalkhani
[gmx-users] Orienting molecule in a correct direction Justin Lemkul
[gmx-users] Md simulation error. maria khan
[gmx-users] Md simulation error. Justin Lemkul
[gmx-users] nvidia tesla p100 Irem Altan
[gmx-users] GROMACS 2016.1 released Timofey Tyugashev
[gmx-users] Fwd: Change in dihedral angle Sudip Das
[gmx-users] Fwd: Change in dihedral angle Justin Lemkul
[gmx-users] QM/MM with gromacs 2016 Sylwia Kacprzak
[gmx-users] Md simulation error.. maria khan
[gmx-users] Bonds between P and O in bilayer head groups Mijiddorj Batsaikhan
[gmx-users] nvidia tesla p100 Irem Altan
[gmx-users] Inhibitor charges jonatas cunha
[gmx-users] nvidia tesla p100 Mark Abraham
[gmx-users] nvidia tesla p100 Irem Altan
[gmx-users] nvidia tesla p100 Mark Abraham
[gmx-users] nvidia tesla p100 Irem Altan
[gmx-users] nvidia tesla p100 Mark Abraham
[gmx-users] Inhibitor charges Justin Lemkul
[gmx-users] Bonds between P and O in bilayer head groups Justin Lemkul

Last message date: Mon Oct 31 23:58:40 CET 2016
Archived on: Mon Oct 31 23:58:42 CET 2016

Messages sorted by: [ thread ] [ subject ] [ author ]
More info on this list...

This archive was generated by Pipermail 0.09 (Mailman edition).