September 2018 Archives by date

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

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

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