September 2018 Archives by thread

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

Starting: Sun Sep 2 01:29:59 CEST 2018
Ending: Sun Sep 30 10:58:21 CEST 2018
Messages: 442

• [gmx-users] How to use the readHBmap for Hbond analysis?   mmousivand93
• [gmx-users] Per species g_energy value   Apramita Chand
  • [gmx-users] Fwd: Per species g_energy value   Apramita Chand
• [gmx-users] Water properties above surface   rose rahmani
• [gmx-users] Combining edr files for NPT with different dt values   Stephani Macalino
  • [gmx-users] Combining edr files for NPT with different dt values   Mark Abraham
    • [gmx-users] Combining edr files for NPT with different dt values   Stephani Macalino
• [gmx-users] (no subject)   Rakesh Mishra
  • [gmx-users] (no subject)   Rakesh Mishra
• [gmx-users] Pulling doubt   Rakesh Mishra
• [gmx-users] HB3 ATOM   Mahdi Sobati Nezhad
  • [gmx-users] HB3 ATOM   Justin Lemkul
    • [gmx-users] HB3 ATOM   Mahdi Sobati Nezhad
      • [gmx-users] HB3 ATOM   Justin Lemkul
      • [gmx-users] HB3 ATOM   Mahdi Sobati Nezhad
      • [gmx-users] HB3 ATOM   Justin Lemkul
      • [gmx-users] HB3 ATOM   Mahdi Sobati Nezhad
• [gmx-users] Make_ndx for gmx hbond   rose rahmani
  • [gmx-users] Make_ndx for gmx hbond   Justin Lemkul
• [gmx-users] fatal error in read a checkpoint file   marzieh dehghan
  • [gmx-users] fatal error in read a checkpoint file   Justin Lemkul
• [gmx-users] Drude polarization ff for Ca2+ and Mg2+   Justin Lemkul
• [gmx-users] rerun with Coul-LR energy groups in GROMACS2018   Sergio Perez
  • [gmx-users] rerun with Coul-LR energy groups in GROMACS2018   Mark Abraham
    • [gmx-users] rerun with Coul-LR energy groups in GROMACS2018   Sergio Perez
• [gmx-users] Peptide simulation on the membrane surface   Mijiddorj B
• [gmx-users] incomplete topology for graphene   sagar bathla
• [gmx-users] Bad contact error for gromacs 5.0.4 but running in 4.6.5   Santanu Santra
  • [gmx-users] Bad contact error for gromacs 5.0.4 but running in 4.6.5   Dallas Warren
• [gmx-users] Justin paper 2010 pulling   Rakesh Mishra
  • [gmx-users] Justin paper 2010 pulling   Justin Lemkul
    • [gmx-users] Justin paper 2010 pulling   Rakesh Mishra
      • [gmx-users] Justin paper 2010 pulling   Justin Lemkul
      • [gmx-users] Justin paper 2010 pulling   Rakesh Mishra
      • [gmx-users] Justin paper 2010 pulling   Justin Lemkul
      • [gmx-users] Justin paper 2010 pulling   Rakesh Mishra
      • [gmx-users] Justin paper 2010 pulling   Adrian Devitt-Lee
      • [gmx-users] Justin paper 2010 pulling   Justin Lemkul
      • [gmx-users] Justin paper 2010 pulling   Rakesh Mishra
      • [gmx-users] Justin paper 2010 pulling   Justin Lemkul
      • [gmx-users] Justin paper 2010 pulling   Rakesh Mishra
      • [gmx-users] Justin paper 2010 pulling   Justin Lemkul
      • [gmx-users] Justin paper 2010 pulling   Rakesh Mishra
      • [gmx-users] Justin paper 2010 pulling   Justin Lemkul
      • [gmx-users] Justin paper 2010 pulling   Rakesh Mishra
      • [gmx-users] Justin paper 2010 pulling   Justin Lemkul
      • [gmx-users] Justin paper 2010 pulling   Rakesh Mishra
      • [gmx-users] Justin paper 2010 pulling   Justin Lemkul
      • [gmx-users] Justin paper 2010 pulling   Rakesh Mishra
      • [gmx-users] Justin paper 2010 pulling   Justin Lemkul
• [gmx-users] Adding new atom types   Alex
  • [gmx-users] Fwd: Adding new atom types   Alex
    • [gmx-users] Fwd: Adding new atom types   Thomas Piggot
      • [gmx-users] Fwd: Adding new atom types   Alex
      • [gmx-users] Fwd: Adding new atom types   Thomas Piggot
• [gmx-users] readHBmap   mmousivand93
  • [gmx-users] readHBmap   Dallas Warren
• [gmx-users] Calculating the Hydrophobic and Hydrophilic SASA values on GROMACS version 5.1.2   Andrew Srimalka Wijesekera
  • [gmx-users] Calculating the Hydrophobic and Hydrophilic SASA values on GROMACS version 5.1.2   Dallas Warren
  • [gmx-users] Calculating the Hydrophobic and Hydrophilic SASA values on GROMACS version 5.1.2   Sudip Das
    • [gmx-users] Calculating the Hydrophobic and Hydrophilic SASA values on GROMACS version 5.1.2   Andrew Srimalka Wijesekera
• [gmx-users] Workstation choice   Olga Selyutina
  • [gmx-users] Workstation choice   Benson Muite
    • [gmx-users] Workstation choice   Olga Selyutina
      • [gmx-users] Workstation choice   Benson Muite
      • [gmx-users] Workstation choice   Szilárd Páll
      • [gmx-users] Workstation choice   Szilárd Páll
      • [gmx-users] Workstation choice   Olga Selyutina
      • [gmx-users] Workstation choice   Benson Muite
      • [gmx-users] Workstation choice   Benson Muite
      • [gmx-users] Workstation choice   Olga Selyutina
      • [gmx-users] Workstation choice   Benson Muite
      • [gmx-users] Workstation choice   Benson Muite
      • [gmx-users] Workstation choice   Wahab Mirco
      • [gmx-users] Workstation choice   Olga Selyutina
      • [gmx-users] Workstation choice   Wahab Mirco
      • [gmx-users] Workstation choice   Olga Selyutina
      • [gmx-users] Workstation choice   Wahab Mirco
      • [gmx-users] Workstation choice   Szilárd Páll
      • [gmx-users] Workstation choice   Albert
      • [gmx-users] Workstation choice   Benson Muite
      • [gmx-users] Workstation choice   Szilárd Páll
      • [gmx-users] Workstation choice   Wahab Mirco
      • [gmx-users] Workstation choice   Szilárd Páll
      • [gmx-users] Workstation choice   Szilárd Páll
      • [gmx-users] Workstation choice   Olga Selyutina
• [gmx-users] Autocorrelation times from gmx wham and analyze   Gmx QA
  • [gmx-users] Autocorrelation times from gmx wham and analyze   David van der Spoel
• [gmx-users] i have a question about multiple chain simulation at the same box   milad bagheri
  • [gmx-users] i have a question about multiple chain simulation at the same box   Justin Lemkul
• [gmx-users] compilation terminated with error   Alex
• [gmx-users] Pressure control with constraints incompatible with expanded ensemble   Jacob Monroe
  • [gmx-users] Pressure control with constraints incompatible with expanded ensemble   Michael Shirts
• [gmx-users] Orthorhombic structure and Lincs warnings   sagar bathla
  • [gmx-users] Orthorhombic structure and Lincs warnings   Alex
    • [gmx-users] Orthorhombic structure and Lincs warnings   Alex
• [gmx-users] gromacs.org_gmx-users Digest, Vol 173, Issue 12   sagar bathla
• [gmx-users] minimization is not converging   Bratin Kumar Das
  • [gmx-users] minimization is not converging   Justin Lemkul
    • [gmx-users] minimization is not converging   Bratin Kumar Das
      • [gmx-users] minimization is not converging   Justin Lemkul
      • [gmx-users] minimization is not converging   Bratin Kumar Das
      • [gmx-users] minimization is not converging   Justin Lemkul
      • [gmx-users] minimization is not converging   Bratin Kumar Das
      • [gmx-users] minimization is not converging   Justin Lemkul
      • [gmx-users] minimization is not converging   Bratin Kumar Das
      • [gmx-users] minimization is not converging   Justin Lemkul
      • [gmx-users] minimization is not converging   Bratin Kumar Das
• [gmx-users] Hydrogen bond correlations do not start from 1   Apramita Chand
• [gmx-users] Warning: correlations not long enough   Apramita Chand
  • [gmx-users] Warning: correlations not long enough   David van der Spoel
  • [gmx-users] Warning: correlations not long enough   Apramita Chand
• [gmx-users] minimization is not converging (Bratin Kumar Das)   ABEL Stephane
  • [gmx-users] minimization is not converging (Bratin Kumar Das)   Bratin Kumar Das
• [gmx-users] Functional Mode Analysis (FMA)   Eduardo Diniz
• [gmx-users] Functional Mode Analysis (FMA)   Ullmann, Thomas
• [gmx-users] minimization is not converging (Bratin Kumar Das)   ABEL Stephane
• [gmx-users] External sinusoidal force   Alex
• [gmx-users] Viscosity by Gromacs   Tuanan Lourenço
  • [gmx-users] Viscosity by Gromacs   David van der Spoel
    • [gmx-users] Viscosity by Gromacs   Sam David
• [gmx-users] Warning: correlations not long enough   Apramita Chand
  • [gmx-users] Warning: correlations not long enough   David van der Spoel
• [gmx-users] Number of glucose molcules   zaved at tezu.ernet.in
  • [gmx-users] Number of glucose molcules   Alex
• [gmx-users] Gmx gangle   rose rahmani
  • [gmx-users] Gmx gangle   rose rahmani
    • [gmx-users] Gmx gangle   rose rahmani
  • [gmx-users] Fwd: Gmx gangle   rose rahmani
• [gmx-users] Difference between gmx spol and gmx h2order in calculationg the orientation of water around surface and solute?   rose rahmani
  • [gmx-users] Fwd: Difference between gmx spol and gmx h2order in calculationg the orientation of water around surface and solute?   rose rahmani
    • [gmx-users] Fwd: Difference between gmx spol and gmx h2order in calculationg the orientation of water around surface and solute?   Dallas Warren
• [gmx-users] minimization_error   Bratin Kumar Das
  • [gmx-users] minimization_error   Justin Lemkul
    • [gmx-users] minimization_error   Bratin Kumar Das
      • [gmx-users] minimization_error   Justin Lemkul
      • [gmx-users] minimization_error   Bratin Kumar Das
      • [gmx-users] minimization_error   Justin Lemkul
      • [gmx-users] minimization_error   Bratin Kumar Das
• [gmx-users] Segmentation fault (core dumped)   Ashma khan
  • [gmx-users] Segmentation fault (core dumped)   Bratin Kumar Das
• [gmx-users] electric field amplitude of a photon   Alex
• [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   rose rahmani
  • [gmx-users] Fwd: How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   rose rahmani
  • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   rose rahmani
  • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   João Henriques
    • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   rose rahmani
      • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   João Henriques
      • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   rose rahmani
      • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   João Henriques
      • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   João Henriques
      • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   Nick Johans
      • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   Nick Johans
      • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   João Henriques
      • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   rose rahmani
      • [gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?   João Henriques
• [gmx-users] Related to energy minimization   ISHRAT JAHAN
  • [gmx-users] Related to energy minimization   Bratin Kumar Das
    • [gmx-users] Related to energy minimization   ISHRAT JAHAN
      • [gmx-users] Related to energy minimization   Bratin Kumar Das
      • [gmx-users] Related to energy minimization   ISHRAT JAHAN
      • [gmx-users] Related to energy minimization   Bratin Kumar Das
      • [gmx-users] Related to energy minimization   ISHRAT JAHAN
      • [gmx-users] Related to energy minimization   Bratin Kumar Das
      • [gmx-users] Related to energy minimization   ISHRAT JAHAN
      • [gmx-users] Related to energy minimization   Bratin Kumar Das
      • [gmx-users] Related to energy minimization   ISHRAT JAHAN
      • [gmx-users] Related to energy minimization   Bratin Kumar Das
      • [gmx-users] Related to energy minimization   ISHRAT JAHAN
      • [gmx-users] Related to energy minimization   Bratin Kumar Das
• [gmx-users] (no subject)   saranya
  • [gmx-users] (no subject)   Bratin Kumar Das
    • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] Problem while equilibrating system with frozen groups   ARNAB MUKHERJEE
  • [gmx-users] Problem while equilibrating system with frozen groups   Peter Kroon
    • [gmx-users] Problem while equilibrating system with frozen groups   ARNAB MUKHERJEE
• [gmx-users] Number of glucose molecules   zaved at tezu.ernet.in
  • [gmx-users] Number of glucose molecules   Alex
• [gmx-users] core-dumped   Bratin Kumar Das
  • [gmx-users] core-dumped   Vytautas Rakeviius
• [gmx-users] gromacs.org_gmx-users Digest, Vol 173, Issue 34   zaved at tezu.ernet.in
• [gmx-users] warnings   Bratin Kumar Das
  • [gmx-users] warnings   Dallas Warren
• [gmx-users] Optimal pme grid   Mark Abraham
• [gmx-users] Re Warning- Correlations not long enough   Apramita Chand
  • [gmx-users] Re Warning- Correlations not long enough   David van der Spoel
• [gmx-users] Unknown CMake command "tmpi_get_source_list"   Jack Shepherd
• [gmx-users] Problems getting Nitrate oplsaa parameters   Carlos Navarro
  • [gmx-users] Problems getting Nitrate oplsaa parameters   Wahab Mirco
    • [gmx-users] Problems getting Nitrate oplsaa parameters   Wahab Mirco
• [gmx-users] Tolerance and damping coefficient   Gonzalez Fernandez, Cristina
  • [gmx-users] Tolerance and damping coefficient   Justin Lemkul
    • [gmx-users] Tolerance and damping coefficient   Gonzalez Fernandez, Cristina
• [gmx-users] Force constant, regarding   RAHUL SURESH
  • [gmx-users] Force constant, regarding   RAHUL SURESH
• [gmx-users] charmm2gromacs.py   Frederic Schneider
  • [gmx-users] charmm2gromacs.py   Vytautas Rakeviius
  • [gmx-users] charmm2gromacs.py   Justin Lemkul
• [gmx-users] Angle between two plane   rose rahmani
  • [gmx-users] Angle between two plane   NOKK SIEMPRE
• [gmx-users] Umbrella sampling histograms.   rose rahmani
• [gmx-users] lie calculations   Graham Jackson
  • [gmx-users] lie calculations   Vytautas Rakeviius
• [gmx-users] cgenff charm error   marzieh dehghan
  • [gmx-users] cgenff charm error   LAM, Tsz Nok
  • [gmx-users] cgenff charm error   Justin Lemkul
• [gmx-users] Problem with mdrun and shell particles (polarizable ff)   Matteo Busato
  • [gmx-users] Problem with mdrun and shell particles (polarizable ff)   Justin Lemkul
• [gmx-users] Your message to gromacs.org_gmx-users awaits moderator approval   rose rahmani
  • [gmx-users] Your message to gromacs.org_gmx-users awaits moderator approval   Justin Lemkul
    • [gmx-users] Your message to gromacs.org_gmx-users awaits moderator approval   Nick Johans
• [gmx-users] Population Density Plot   ISHRAT JAHAN
  • [gmx-users] Population Density Plot   Vytautas Rakeviius
    • [gmx-users] Population Density Plot   João Henriques
      • [gmx-users] Population Density Plot   Vytautas Rakeviius
      • [gmx-users] Population Density Plot   João Henriques
      • [gmx-users] Population Density Plot   Vytautas Rakeviius
• [gmx-users] TAU-P   Alex
  • [gmx-users] TAU-P   Huang, Tina
    • [gmx-users] TAU-P   Justin Lemkul
      • [gmx-users] TAU-P   Alex
• [gmx-users] Make check failed 2018 Gromacs on GPU workstation   Phuong Tran
  • [gmx-users] Make check failed 2018 Gromacs on GPU workstation   Szilárd Páll
    • [gmx-users] Make check failed 2018 Gromacs on GPU workstation   Phuong Tran
      • [gmx-users] Make check failed 2018 Gromacs on GPU workstation   Szilárd Páll
• [gmx-users] (no subject)   AKANXA TIWARI
  • [gmx-users] (no subject)   Bratin Kumar Das
  • [gmx-users] (no subject)   Justin Lemkul
    • [gmx-users] (no subject)   AKANXA TIWARI
• [gmx-users] Error in NVT equilibration   Gonzalez Fernandez, Cristina
  • [gmx-users] Error in NVT equilibration   Dallas Warren
  • [gmx-users] Error in NVT equilibration   Vytautas Rakeviius
    • [gmx-users] Error in NVT equilibration   Justin Lemkul
      • [gmx-users] Error in NVT equilibration   Vytautas Rakeviius
      • [gmx-users] Error in NVT equilibration   Justin Lemkul
      • [gmx-users] Error in NVT equilibration   Vytautas Rakeviius
      • [gmx-users] Error in NVT equilibration   Justin Lemkul
      • [gmx-users] Error in NVT equilibration   Gonzalez Fernandez, Cristina
      • [gmx-users] Error in NVT equilibration   Justin Lemkul
      • [gmx-users] Error in NVT equilibration   Gonzalez Fernandez, Cristina
      • [gmx-users] Error in NVT equilibration   Justin Lemkul
      • [gmx-users] Error in NVT equilibration   Gonzalez Fernandez, Cristina
      • [gmx-users] Error in NVT equilibration   Justin Lemkul
• [gmx-users] GBSA parameters   Jack Shepherd
• [gmx-users] bromide/iodide parameters for charm36   Carlos Navarro
  • [gmx-users] bromide/iodide parameters for charm36   Justin Lemkul
• [gmx-users] Force constant, regarding   RAHUL SURESH
  • [gmx-users] Force constant, regarding   Dallas Warren
• [gmx-users] (no subject)   SAKO MIRZAIE
  • [gmx-users] (no subject)   Vytautas Rakeviius
• [gmx-users] Regarding root mean square inner product from PCA   vijayakumar gosu
• [gmx-users] Restrain free energy   hoangtung9597
  • [gmx-users] Restrain free energy   asaffarhi at post.tau.ac.il
    • [gmx-users] Restrain free energy   hoangtung9597
      • [gmx-users] Restrain free energy   asaffarhi at post.tau.ac.il
      • [gmx-users] Restrain free energy   hoangtung9597
• [gmx-users] Onsager coefficients   Behnam Ghalami
  • [gmx-users] Onsager coefficients   David van der Spoel
• [gmx-users] bilayer thickness 100ns membrane protein   Stephani Macalino
  • [gmx-users] bilayer thickness 100ns membrane protein   Justin Lemkul
    • [gmx-users] bilayer thickness 100ns membrane protein   Stephani Macalino
      • [gmx-users] bilayer thickness 100ns membrane protein   Dallas Warren
      • [gmx-users] bilayer thickness 100ns membrane protein   Stephani Macalino
      • [gmx-users] bilayer thickness 100ns membrane protein   Justin Lemkul
  • [gmx-users] bilayer thickness 100ns membrane protein   Bratin Kumar Das
    • [gmx-users] bilayer thickness 100ns membrane protein   Stephani Macalino
      • [gmx-users] bilayer thickness 100ns membrane protein   Bratin Kumar Das
      • [gmx-users] bilayer thickness 100ns membrane protein   Stephani Macalino
      • [gmx-users] bilayer thickness 100ns membrane protein   Bratin Kumar Das
      • [gmx-users] bilayer thickness 100ns membrane protein   Stephani Macalino
      • [gmx-users] bilayer thickness 100ns membrane protein   Bratin Kumar Das
• [gmx-users] Regarding index .ndx files   Sebastian Muraru
  • [gmx-users] Regarding index .ndx files   Vytautas Rakeviius
    • [gmx-users] Regarding index .ndx files   Kevin Boyd
    • [gmx-users] Regarding index .ndx files   João Henriques
• [gmx-users] PCA and Fast Fourier Transform   Pandya, Akash
• [gmx-users] Error while using the CHARMM forcefield for NAD ligand in Gromacs   BIJENDRA KHADKA
  • [gmx-users] Error while using the CHARMM forcefield for NAD ligand in Gromacs   Justin Lemkul
• [gmx-users] Infinite reservoir   Alex
• [gmx-users] helix change to coil for residues His 177 and His 187 after pdb2gmx in opls-aa forcefield   Min Wu
  • [gmx-users] helix change to coil for residues His 177 and His 187 after pdb2gmx in opls-aa forcefield   Justin Lemkul
    • [gmx-users] helix change to coil for residues His 177 and His 187 after pdb2gmx in opls-aa forcefield   Min Wu
      • [gmx-users] helix change to coil for residues His 177 and His 187 after pdb2gmx in opls-aa forcefield   Justin Lemkul
      • [gmx-users] helix change to coil for residues His 177 and His 187 after pdb2gmx in opls-aa forcefield   Min Wu
• [gmx-users] simulation error   Mario Andres Rodriguez Pineda
  • [gmx-users] simulation error   Sam David
  • [gmx-users] simulation error   Justin Lemkul
    • [gmx-users] simulation error   Mario Andres Rodriguez Pineda
      • [gmx-users] simulation error   Justin Lemkul
      • [gmx-users] simulation error   Mario Andres Rodriguez Pineda
      • [gmx-users] simulation error   Justin Lemkul
• [gmx-users] Segmentation fault (core dumped)   Ashma Khan
  • [gmx-users] Segmentation fault (core dumped)   Dallas Warren
• [gmx-users] Preferential Binding Coefficient   ISHRAT JAHAN
• [gmx-users] Gromacs MSD close to an slab/interface   Tuanan Lourenço
• [gmx-users] Question about integrator md-vv and associated documentation   James
• [gmx-users] readHBmap   mmousivand93
• [gmx-users] AMD vs Intel, nvidia 20xx   Tamas Hegedus
  • [gmx-users] AMD vs Intel, nvidia 20xx   melichercik at leaf.nh.cas.cz
    • [gmx-users] AMD vs Intel, nvidia 20xx   Tamas Hegedus
  • [gmx-users] AMD vs Intel, nvidia 20xx   Szilárd Páll
• [gmx-users] GROMACS user workshop   Benson Muite
  • [gmx-users] GROMACS user workshop   Tùng Hoàng
    • [gmx-users] GROMACS user workshop   Benson Muite
      • [gmx-users] GROMACS user workshop   Benson Muite
• [gmx-users] Nonbonded energy of 1-4 interactions   Zhonghua Xia
• [gmx-users] Nonbonded energy of 1-4 interactions   Zhonghua Xia
  • [gmx-users] Nonbonded energy of 1-4 interactions   Justin Lemkul
• [gmx-users] gmx pdb2gmx   antonia vyrkou
  • [gmx-users] gmx pdb2gmx   Justin Lemkul
• [gmx-users] i have queston about partial charge zinc   milad bagheri
  • [gmx-users] i have queston about partial charge zinc   Andrea Coletta
    • [gmx-users] i have queston about partial charge zinc   Alan
      • [gmx-users] i have queston about partial charge zinc   neelam wafa
      • [gmx-users] i have queston about partial charge zinc   Alan
• [gmx-users] Merge pdb files into single box   Javier Luque Di Salvo
  • [gmx-users] Merge pdb files into single box   Justin Lemkul
• [gmx-users] principal axis of inertia - gmx principal   edesantis
• [gmx-users] Merge pdb files into single box   Javier Luque Di Salvo
• [gmx-users] Message-ID: <d3e21a78-9b0c-88fa-a6d7-c60c56a0e488 at vt.edu>   BIJENDRA KHADKA
  • [gmx-users] Message-ID: <d3e21a78-9b0c-88fa-a6d7-c60c56a0e488 at vt.edu>   Justin Lemkul
• [gmx-users] Lateral pressure   Candy Deck
  • [gmx-users] Lateral pressure   Kevin Boyd
  • [gmx-users] Lateral pressure   Alex
• [gmx-users] protein dna pulling   Erik Marklund
• [gmx-users] Nonbonded energy of 1-4 interactions   Zhonghua Xia
  • [gmx-users] Nonbonded energy of 1-4 interactions   Justin Lemkul
• [gmx-users] Aggregation Analysis   Aishwarya Dhar
• [gmx-users] Aggregation Analysis   Aishwarya Dhar
  • [gmx-users] Aggregation Analysis   Smith, Micholas D.
• [gmx-users] Error while using the CHARMM forcefield for NAD ligand in Gromacs-2   BIJENDRA KHADKA
  • [gmx-users] Error while using the CHARMM forcefield for NAD ligand in Gromacs-2   BIJENDRA KHADKA
• [gmx-users] Aggregation Analysis   Aishwarya Dhar
  • [gmx-users] Aggregation Analysis   Soham Sarkar
• [gmx-users] gromacs.org_gmx-users Digest, Vol 173, Issue 84   Aishwarya Dhar
• [gmx-users] caculate free energy   Tùng Hoàng
• [gmx-users] problem   AKANXA TIWARI
  • [gmx-users] problem   Alex
    • [gmx-users] problem   Justin Lemkul
      • [gmx-users] problem   Alex
• [gmx-users] gromacs.org_gmx-users Digest, Vol 173, Issue 86   Aishwarya Dhar
• [gmx-users] NVT problem   AKANXA TIWARI
  • [gmx-users] NVT problem   Dallas Warren
• [gmx-users] A question about Protein-Protein Docking with Gromacs   milad bagheri
• [gmx-users] very small nonzero charge   Alex
  • [gmx-users] very small nonzero charge   Alex
    • [gmx-users] very small nonzero charge   Mark Abraham
      • [gmx-users] very small nonzero charge   Alex
• [gmx-users] A question about Protein-Protein interaction with Gromacs   milad bagheri
• [gmx-users] (no subject)   AKANXA TIWARI
  • [gmx-users] (no subject)   Bratin Kumar Das
  • [gmx-users] (no subject)   Justin Lemkul
• [gmx-users] Different coefficients for 1-4 pairs of nonbonded interactions.   Artem Shekhovtsov
• [gmx-users] secondary structure analysis   SHAHEE ISLAM
  • [gmx-users] secondary structure analysis   SHAHEE ISLAM
    • [gmx-users] secondary structure analysis   Soham Sarkar
      • [gmx-users] secondary structure analysis   P C Kroon
      • [gmx-users] secondary structure analysis   SHAHEE ISLAM
      • [gmx-users] secondary structure analysis   SHAHEE ISLAM
      • [gmx-users] secondary structure analysis   Peter Kroon
      • [gmx-users] secondary structure analysis   SHAHEE ISLAM
• [gmx-users] NVT equalibriation   AKANXA TIWARI
  • [gmx-users] NVT equalibriation   Dallas Warren
• [gmx-users] Error while using the CHARMM forcefield for NAD ligand in Gromacs-3   BIJENDRA KHADKA
  • [gmx-users] Error while using the CHARMM forcefield for NAD ligand in Gromacs-3   Justin Lemkul
• [gmx-users] atom types not found   paul buscemi
  • [gmx-users] atom types not found   Justin Lemkul
    • [gmx-users] atom types not found   Alex
      • [gmx-users] atom types not found   paul buscemi
      • [gmx-users] atom types not found   pbuscemi
      • [gmx-users] atom types not found   Alex
      • [gmx-users] atom types not found   paul buscemi
      • [gmx-users] atom types not found   Alex
      • [gmx-users] force field not found   paul buscemi
      • [gmx-users] force field not found   Alex
• [gmx-users] GROMACS/CPMD QMMM do not occur the process of the hydrogen abstraction reaction   limingru
• [gmx-users] energy minimization   ikjk
  • [gmx-users] energy minimization   Dallas Warren
• [gmx-users] GROMACS/CPMD QMMM do not occur the process of the hydrogen abstraction reaction   limingru
• [gmx-users] GROMACS/CPMD QMMM do not occur the process of the hydrogen abstraction reaction (limingru)   Groenhof, Gerrit
• [gmx-users] g_mindist error "Cannot open file with NULL filename string"   ABEL Stephane
  • [gmx-users] g_mindist error "Cannot open file with NULL filename string"   Mark Abraham
• [gmx-users] Topology file.   Mahdi Sobati Nezhad
• [gmx-users] Using different sets of parameters with the same functional form for a single dihedral   sanjeet kumar singh ch16d012
• [gmx-users] (no subject)   Rakesh Mishra
• [gmx-users] g_mindist error "Cannot open file with NULL filename string"   ABEL Stephane
• [gmx-users] about using restraint-lambdas and bonded-lambda   Qasim Pars
• [gmx-users] Eliminating the time period for analyses   Sankaran SV .
• [gmx-users] Buckingham parameters to Lennard Jones Parameters   sanjeet kumar singh ch16d012
  • [gmx-users] Buckingham parameters to Lennard Jones Parameters   Sam David
    • [gmx-users] Buckingham parameters to Lennard Jones Parameters   Dan Gil
• [gmx-users] minor issues of gmxtest.pl on mdrun-only builds   LAM, Tsz Nok
  • [gmx-users] minor issues of gmxtest.pl on mdrun-only builds   Szilárd Páll
• [gmx-users] general questions on re-run   MD
• [gmx-users] Mutation   Mohammad Goodarzi
  • [gmx-users] Mutation   Bratin Kumar Das
• [gmx-users] Freeze and constraint bond   rose rahmani
• [gmx-users] GPU ERROR RUNING A SIMULATION   Mario Andres Rodriguez Pineda
  • [gmx-users] GPU ERROR RUNING A SIMULATION   Kevin Boyd
  • [gmx-users] GPU ERROR RUNING A SIMULATION   Mark Abraham
• [gmx-users] gmx select with coordinates   Shan Jayasinghe
  • [gmx-users] gmx select with coordinates   Shan Jayasinghe
    • [gmx-users] gmx select with coordinates   Dan Gil
      • [gmx-users] gmx select with coordinates   Shan Jayasinghe
• [gmx-users] Solvating only part of a box   Alex
  • [gmx-users] Solvating only part of a box   Mark Abraham
    • [gmx-users] Solvating only part of a box   Alex
      • [gmx-users] Solvating only part of a box   Mark Abraham
• [gmx-users] Constraint bonds   rose rahmani
• [gmx-users] compiling 2018.3 ... problems with hwloc   Michael Brunsteiner
• [gmx-users] gmp_distance VS VMD distance analysis VS snapshot   Antonio Carlesso
  • [gmx-users] Fwd: gmp_distance VS VMD distance analysis VS snapshot   Antonio Carlesso
• [gmx-users] e-mail   Antonio Carlesso
• [gmx-users] compiling 2018.3 ... problems with hwloc   Michael Brunsteiner
• [gmx-users] choosing time period for the simulation analyses   Sankaran SV .
• [gmx-users] Subject: Constraint bonds   Bakary N'tji Diallo
• [gmx-users] Computational load of Constraints/COM pull force   Kenny Goossens
  • [gmx-users] Computational load of Constraints/COM pull force   Mark Abraham
    • [gmx-users] Computational load of Constraints/COM pull force   Kenny Goossens
      • [gmx-users] Computational load of Constraints/COM pull force   Mark Abraham
      • [gmx-users] Computational load of Constraints/COM pull force   Kenny Goossens
      • [gmx-users] Computational load of Constraints/COM pull force   Szilárd Páll
• [gmx-users] Regarding MM/GBSA method implemented in the GROMACS package   Sundari
  • [gmx-users] Regarding MM/GBSA method implemented in the GROMACS package   rose rahmani
    • [gmx-users] Regarding MM/GBSA method implemented in the GROMACS package   Sundari
      • [gmx-users] Regarding MM/GBSA method implemented in the GROMACS package   rose rahmani
• [gmx-users] Regarding MM/GBSA method implemented in the GROMACS package   Sundari
• [gmx-users] Fluctuation properties   Pelin S Bulutoglu
  • [gmx-users] Fluctuation properties   David van der Spoel
    • [gmx-users] Fluctuation properties   Pelin S Bulutoglu
      • [gmx-users] Fluctuation properties   David van der Spoel
• [gmx-users] Defined dihedral function   Rafa Risnik
• [gmx-users] intermolecular vdw & intramolecular vdW   Ryoma Sasaki

Last message date: Sun Sep 30 10:58:21 CEST 2018
Archived on: Sun Sep 30 10:58:24 CEST 2018

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