May 2018 Archives by author

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Starting: Tue May 1 00:04:50 CEST 2018
Ending: Thu May 31 19:54:06 CEST 2018
Messages: 506

[gmx-users] -ndec option of trjconv Mark Abraham
[gmx-users] LJ-PME with user defined non-bonded parameters Mark Abraham
[gmx-users] Core dumped in NVT Mark Abraham
[gmx-users] % of H-bond occupancy Mark Abraham
[gmx-users] Inconsistent non-bonded energy when using energy tables. Mark Abraham
[gmx-users] index two groups for the distance calculation Mark Abraham
[gmx-users] REMD temperature_space Mark Abraham
[gmx-users] -ndec option of trjconv Mark Abraham
[gmx-users] REMD temperature_space Mark Abraham
[gmx-users] Charmm-Gui output to Gromacs Mark Abraham
[gmx-users] Gromacs 2018 and GPU Mark Abraham
[gmx-users] Gromacs 2018 and GPU Mark Abraham
[gmx-users] Regarding getting good performance for mdrun Mark Abraham
[gmx-users] problem Mark Abraham
[gmx-users] Gromacs 2018 and GPU Mark Abraham
[gmx-users] strange GPU load distribution Mark Abraham
[gmx-users] strange GPU load distribution Mark Abraham
[gmx-users] gromacs 2018 make error with multiple compilers and GPU support Mark Abraham
[gmx-users] Contraints on both angles and dihedrals Mark Abraham
[gmx-users] gromacs 2018 make error with multiple compilers and GPU support Mark Abraham
[gmx-users] Contraints on both angles and dihedrals Mark Abraham
[gmx-users] KCl forms crystals at c=0.15M with amber99sb-ildn Mark Abraham
[gmx-users] V2018.1 building issues Mark Abraham
[gmx-users] Restarting crashed simmulation. Mark Abraham
[gmx-users] Restarting crashed simmulation. Mark Abraham
[gmx-users] Implicit membrane in Gromacs, regarding Mark Abraham
[gmx-users] SMD regarding Mark Abraham
[gmx-users] GROMACS IRC channel Mark Abraham
[gmx-users] GROMACS IRC channel Mark Abraham
[gmx-users] insert-molecules results in molecules sticking out of box, could "solvate" face an issue? Mark Abraham
[gmx-users] (no subject) Mark Abraham
[gmx-users] multiple ion species in a single structure. Mark Abraham
[gmx-users] Problem with gmx clustsize ..(Not enough memory. Failed to calloc) Mark Abraham
[gmx-users] C6-C12 table potential Mark Abraham
[gmx-users] gromacs.org_gmx-users Digest, Vol 169, Issue 67 Mark Abraham
[gmx-users] gromacs.org_gmx-users Digest, Vol 169, Issue 67 Mark Abraham
[gmx-users] Does a logical pressure (1 Bar) can be reached in REMD? Mark Abraham
[gmx-users] partial exclusion of interactions within 1-4 Mark Abraham
[gmx-users] partial exclusion of interactions within 1-4 Mark Abraham
[gmx-users] Specbond.dat file Mark Abraham
[gmx-users] make a rigid nanoparticle (internally freeze body while it can move as a rigid body ) Mark Abraham
[gmx-users] make a rigid nanoparticle (internally freeze body while it can move as a rigid body ) Mark Abraham
[gmx-users] md simulation of a protein in mixture of water and DMSO Mark Abraham
[gmx-users] partial exclusion of interactions within 1-4 Mark Abraham
[gmx-users] partial exclusion of interactions within 1-4 Mark Abraham
[gmx-users] Using the command -maxwarn Mark Abraham
[gmx-users] Shifting in minimization Mark Abraham
[gmx-users] Problem in installing GROMACS 2018 Mark Abraham
[gmx-users] Problem in installing GROMACS 2018 Mark Abraham
[gmx-users] Colchicine topology Mark Abraham
[gmx-users] Colchicine topology Mark Abraham
[gmx-users] calculation of distance between the center of geometry of two proteins Mark Abraham
[gmx-users] velocity Mark Abraham
[gmx-users] velocity Mark Abraham
[gmx-users] Shifting in minimization Mark Abraham
[gmx-users] Confusing gmx tMPI Error Mark Abraham
[gmx-users] Error in md simulation Mark Abraham
[gmx-users] Regarding calculation of SDF Mark Abraham
[gmx-users] Regarding calculation of SDF Mark Abraham
[gmx-users] Looking for a Gromacs' tool to find lipid molecules which are located in a shell in the x-y plane around a drug molecule intercalated in a bilayer Mark Abraham
[gmx-users] Error in md simulation Mark Abraham
[gmx-users] Looking for a Gromacs' tool to find lipid molecules which are located in a shell in the x-y plane around a drug molecule intercalated in a bilayer Mark Abraham
[gmx-users] Virtual sites causing npt simulation instabilities Mark Abraham
[gmx-users] Partial Charge precision Momin Ahmad
[gmx-users] Partial Charge precision Momin Ahmad
[gmx-users] Force Field Parameters Momin Ahmad
[gmx-users] Problem in installing GROMACS 2018 Ali Ahmed
[gmx-users] Problem in installing GROMACS 2018 Ali Ahmed
[gmx-users] Problem in installing GROMACS 2018 Ali Ahmed
[gmx-users] Problem in installing GROMACS 2018 Ali Ahmed
[gmx-users] Problem in installing GROMACS 2018 Ali Ahmed
[gmx-users] md simulation of oil hydrocarbon Ali Ahmed
[gmx-users] Free energy and dhdl calculation in Gromacs Aho, Noora
[gmx-users] some thoughts on gmx wham Alex
[gmx-users] some thoughts on gmx wham Alex
[gmx-users] Known but still domain decomposition Alex
[gmx-users] Fwd: Known but still domain decomposition Alex
[gmx-users] problem Alex
[gmx-users] exact number of water Alex
[gmx-users] problem Alex
[gmx-users] problem Alex
[gmx-users] strange GPU load distribution Alex
[gmx-users] strange GPU load distribution Alex
[gmx-users] strange GPU load distribution Alex
[gmx-users] strange GPU load distribution Alex
[gmx-users] strange GPU load distribution Alex
[gmx-users] strange GPU load distribution Alex
[gmx-users] replicates with different random seed Alex
[gmx-users] replicates with different random seed Alex
[gmx-users] pure methane condensation in NVT simulation Alex
[gmx-users] pure methane condensation in NVT simulation Alex
[gmx-users] table_A_B Alex
[gmx-users] strange GPU load distribution Alex
[gmx-users] compressibility Alex
[gmx-users] pure methane condensation in NVT simulation Alex
[gmx-users] GROMACS IRC channel Alex
[gmx-users] GROMACS IRC channel Alex
[gmx-users] multiple ion species in a single structure. Alex
[gmx-users] C6-C12 table potential Alex
[gmx-users] C6-C12 table potential Alex
[gmx-users] partial exclusion of interactions within 1-4 Alex
[gmx-users] RDF Alex
[gmx-users] Electric field or CompEl protocol? Alex
[gmx-users] Electric field or CompEl protocol? Alex
[gmx-users] partial exclusion of interactions within 1-4 Alex
[gmx-users] partial exclusion of interactions within 1-4 Alex
[gmx-users] partial exclusion of interactions within 1-4 Alex
[gmx-users] partial exclusion of interactions within 1-4 Alex
[gmx-users] Shifting in minimization Alex
[gmx-users] Solvation of the bilayer Alex
[gmx-users] Colchicine topology Alex
[gmx-users] Colchicine topology Alex
[gmx-users] Shifting in minimization Alex
[gmx-users] backbone contact analysis of martini cg protein Alex
[gmx-users] calculating energy between certain groups Irem Altan
[gmx-users] calculating energy between certain groups Irem Altan
[gmx-users] calculating energy between certain groups Irem Altan
[gmx-users] Core dumped in NVT Syed Azeem
[gmx-users] Confusing gmx tMPI Error William Barber
[gmx-users] Problem with constrains and degrees of freedom Sergi Ruiz Barragán
[gmx-users] KCl forms crystals at c=0.15M with amber99sb-ildn Daniel Bauer
[gmx-users] KCl forms crystals at c=0.15M with amber99sb-ildn Daniel Bauer
[gmx-users] Specbond.dat file Paul Bauer
[gmx-users] insert-molecules results in molecules sticking out of box, could "solvate" face an issue? Anuradha Bhat
[gmx-users] Solvating a non-orthogonal box Anuradha Bhat
[gmx-users] Solvating a non-orthogonal box Anuradha Bhat
[gmx-users] gromacs with turbomole? Francesca Lønstad Bleken
[gmx-users] gromacs 2018 make error with multiple compilers and GPU support Kevin Boyd
[gmx-users] gromacs 2018 make error with multiple compilers and GPU support Kevin Boyd
[gmx-users] gromacs 2018 make error with multiple compilers and GPU support Kevin Boyd
[gmx-users] Simulating protein-lipid interactions Kevin Boyd
[gmx-users] Simulation crashed, fatal error: Bond length not finite and warning: Pressure scaling more than 1%. Kevin Boyd
[gmx-users] Problem in installing GROMACS 2018 Kevin Boyd
[gmx-users] GROMACS IRC channel Daniel Brendle
[gmx-users] Restrain on principal axis to inhibit protein rotation Soeren von Buelow
[gmx-users] Simulation crashed, fatal error: Bond length not finite and warning: Pressure scaling more than 1%. zeineb SI CHAIB
[gmx-users] Simulation crashed, fatal error: Bond length not finite and warning: Pressure scaling more than 1%. zeineb SI CHAIB
[gmx-users] "energygrps" option for separating Bonded interactions Debdas Dhabal
[gmx-users] "energygrps" option for separating Bonded interactions Debdas Dhabal
[gmx-users] "energygrps" option for separating Bonded interactions Debdas Dhabal
[gmx-users] "energygrps" option for separating Bonded interactions Debdas Dhabal
[gmx-users] Final structure broken Dhumal, Nilesh
[gmx-users] Final structure broken Dhumal, Nilesh
[gmx-users] Regarding getting good performance for mdrun Dilip.H.N
[gmx-users] Regarding calculation of SDF Dilip.H.N
[gmx-users] Regarding calculation of SDF Dilip.H.N
[gmx-users] Virtual sites causing npt simulation instabilities Eisenhart, Andrew (eisenhaw)
[gmx-users] Virtual sites causing npt simulation instabilities Eisenhart, Andrew (eisenhaw)
[gmx-users] Using GPU to run gromacs 5.1.5 Sabreen Farnaz
[gmx-users] Using GPU to run gromacs 5.1.5 Sabreen Farnaz
[gmx-users] Error in NPT simulation Nagasree Garapati
[gmx-users] Problem with gmx clustsize ..(Not enough memory. Failed to calloc) Sergio Garay
[gmx-users] Problem with gmx clustsize ..(Not enough memory. Failed to calloc) Sergio Garay
[gmx-users] pure methane condensation in NVT simulation Ming Geng
[gmx-users] pure methane condensation in NVT simulation Ming Geng
[gmx-users] pure methane condensation in NVT simulation Ming Geng
[gmx-users] Simulating protein-lipid interactions Gonzalez Fernandez, Cristina
[gmx-users] g_sas Gonzalez Fernandez, Cristina
[gmx-users] D Gsolv Gonzalez Fernandez, Cristina
[gmx-users] Error in md simulation Gonzalez Fernandez, Cristina
[gmx-users] Error in md simulation Gonzalez Fernandez, Cristina
[gmx-users] 3. gromacs with turbomole? (Francesca L?nstad Bleken) Groenhof, Gerrit
[gmx-users] QM-MM (sai manohar) Groenhof, Gerrit
[gmx-users] Proper ensemble for lateral diffusion coefficient Gschwend Grégoire
[gmx-users] Help simulating flow Ross Gunderson
[gmx-users] surface tension coupling Oguz Gurbulak
[gmx-users] Solvation of the bilayer Amali Guruge
[gmx-users] gmx conver-tpr error Amali Guruge
[gmx-users] gmx conver-tpr error Amali Guruge
[gmx-users] WHAM for multiple coordinates Shayna Hilburg
[gmx-users] Gromacs installation with GPU support in Windows 7 Jia Hong
[gmx-users] Gromacs installation with GPU support in Windows 7 Jia Hong
[gmx-users] Gromacs installation with GPU support in Windows 7 Jia Hong
[gmx-users] Simulation crashed Sheikh Imamul Hossain
[gmx-users] secondary structure analysis SHAHEE ISLAM
[gmx-users] secondary structure analysis SHAHEE ISLAM
[gmx-users] secondary structure analysis SHAHEE ISLAM
[gmx-users] regarding rmsd calculation of protein SHAHEE ISLAM
[gmx-users] regarding rmsd calculation of protein SHAHEE ISLAM
[gmx-users] regarding rmsd calculation of protein SHAHEE ISLAM
[gmx-users] regarding rmsd calculation of protein SHAHEE ISLAM
[gmx-users] regarding rmsd calculation of protein SHAHEE ISLAM
[gmx-users] regarding rmsd calculation of protein SHAHEE ISLAM
[gmx-users] regarding rmsd calculation of protein SHAHEE ISLAM
[gmx-users] calculation of distance between the center of geometry of two proteins SHAHEE ISLAM
[gmx-users] calculation of distance between the center of geometry of two proteins SHAHEE ISLAM
[gmx-users] calculation of distance between the center of geometry of two proteins SHAHEE ISLAM
[gmx-users] calculation of distance between the center of geometry of two proteins SHAHEE ISLAM
[gmx-users] how to select backbone of martini protein cg SHAHEE ISLAM
[gmx-users] how to select backbone of martini protein cg SHAHEE ISLAM
[gmx-users] backbone contact analysis of martini cg protein SHAHEE ISLAM
[gmx-users] backbone contact analysis of martini cg protein SHAHEE ISLAM
[gmx-users] Gromacs installation with GPU support in Windows 7 Aleksei Iupinov
[gmx-users] Hydration Property of protein ISHRAT JAHAN
[gmx-users] Fwd: Hydration Property of protein ISHRAT JAHAN
[gmx-users] Improper dihedrals ordering issue Hemalatha Jayabal
[gmx-users] Non integer charge value Hemalatha Jayabal
[gmx-users] Non integer charge value Hemalatha Jayabal
[gmx-users] Non integer charge value Hemalatha Jayabal
[gmx-users] Non integer charge value Hemalatha Jayabal
[gmx-users] Specbond.dat file Hemalatha Jayabal
[gmx-users] Specbond.dat file Hemalatha Jayabal
[gmx-users] Trans Dihedral Fraction Anjana Jayasinghe
[gmx-users] MD simulation error Anjana Jayasinghe
[gmx-users] secondary structure analysis Joe Jordan
[gmx-users] secondary structure analysis Joe Jordan
[gmx-users] secondary structure analysis Joe Jordan
[gmx-users] Reference atoms for gmx mdmat and gmx rmsf Joe Jordan
[gmx-users] Reference atoms for gmx mdmat and gmx rmsf Joe Jordan
[gmx-users] Index file regarding Shreyas Kaptan
[gmx-users] Index file regarding Shreyas Kaptan
[gmx-users] replicates with different random seed Shreyas Kaptan
[gmx-users] free energy landscape Shreyas Kaptan
[gmx-users] calculating energy between certain groups Tasneem Kausar
[gmx-users] Gromacs Input Fiels of Interface Forcefield Krzysztof Kolman
[gmx-users] Simulation crashed, fatal error: Bond length not finite and warning: Pressure scaling more than 1%. Kroon, P.C.
[gmx-users] Simulation crashed, fatal error: Bond length not finite and warning: Pressure scaling more than 1%. Kroon, P.C.
[gmx-users] RDF Peter Kroon
[gmx-users] LJ-PME with user defined non-bonded parameters Lei
[gmx-users] some thoughts on gmx wham Justin Lemkul
[gmx-users] -ndec option of trjconv Justin Lemkul
[gmx-users] custom topology questions Justin Lemkul
[gmx-users] H-Bond, regarding Justin Lemkul
[gmx-users] Covarience matrix eps file atom interval set -reg Justin Lemkul
[gmx-users] Charmm-Gui output to Gromacs Justin Lemkul
[gmx-users] Fluctuations in HII phase Justin Lemkul
[gmx-users] Gromacs 2018 and GPU Justin Lemkul
[gmx-users] Gromacs 2018 and GPU Justin Lemkul
[gmx-users] gmx with openmpi installed not on root Justin Lemkul
[gmx-users] Gromacs 2018 and GPU Justin Lemkul
[gmx-users] exact number of water Justin Lemkul
[gmx-users] Gromacs 2018 and GPU Justin Lemkul
[gmx-users] problem Justin Lemkul
[gmx-users] problem Justin Lemkul
[gmx-users] strange GPU load distribution Justin Lemkul
[gmx-users] strange GPU load distribution Justin Lemkul
[gmx-users] Index file regarding Justin Lemkul
[gmx-users] Helical structure .itp file Justin Lemkul
[gmx-users] pure methane condensation in NVT simulation Justin Lemkul
[gmx-users] pure methane condensation in NVT simulation Justin Lemkul
[gmx-users] Secondary structure of peptides Justin Lemkul
[gmx-users] Contraints on both angles and dihedrals Justin Lemkul
[gmx-users] Helical structure .itp file Justin Lemkul
[gmx-users] Defining protonation in pdb2gmx input Justin Lemkul
[gmx-users] Rupture force definition Justin Lemkul
[gmx-users] Improper dihedrals ordering issue Justin Lemkul
[gmx-users] Restarting crashed simmulation. Justin Lemkul
[gmx-users] Rupture force definition Justin Lemkul
[gmx-users] Non integer charge value Justin Lemkul
[gmx-users] Non integer charge value Justin Lemkul
[gmx-users] KCl forms crystals at c=0.15M with amber99sb-ildn Justin Lemkul
[gmx-users] Non integer charge value Justin Lemkul
[gmx-users] Restarting crashed simmulation. Justin Lemkul
[gmx-users] Distribution of water polarization Justin Lemkul
[gmx-users] Distribution of water polarization Justin Lemkul
[gmx-users] Restarting crashed simmulation. Justin Lemkul
[gmx-users] Restarting crashed simmulation. Justin Lemkul
[gmx-users] Restarting crashed simmulation. Justin Lemkul
[gmx-users] Restarting crashed simmulation. Justin Lemkul
[gmx-users] SMD regarding Justin Lemkul
[gmx-users] Gmx insert Justin Lemkul
[gmx-users] Final structure broken Justin Lemkul
[gmx-users] Final structure broken Justin Lemkul
[gmx-users] Rupture force definition Justin Lemkul
[gmx-users] calculating energy between certain groups Justin Lemkul
[gmx-users] Pulling two groups in opposite direction Justin Lemkul
[gmx-users] Pulling two groups in opposite direction Justin Lemkul
[gmx-users] Partial charges calculation Justin Lemkul
[gmx-users] Using GPU to run gromacs 5.1.5 Justin Lemkul
[gmx-users] Pulling two groups in opposite direction Justin Lemkul
[gmx-users] Box size to be considered for a protein of length 500 residues and dimension of protein is 6.5nm maximum. Justin Lemkul
[gmx-users] "energygrps" option for separating Bonded interactions Justin Lemkul
[gmx-users] "energygrps" option for separating Bonded interactions Justin Lemkul
[gmx-users] Does a logical pressure (1 Bar) can be reached in REMD? Justin Lemkul
[gmx-users] Does a logical pressure (1 Bar) can be reached in REMD? Justin Lemkul
[gmx-users] calculating energy between certain groups Justin Lemkul
[gmx-users] calculating energy between certain groups Justin Lemkul
[gmx-users] How to put constraint Justin Lemkul
[gmx-users] mdrun error Justin Lemkul
[gmx-users] mdrun error Justin Lemkul
[gmx-users] Temporary disruption to tutorials sites Justin Lemkul
[gmx-users] topology file Justin Lemkul
[gmx-users] Partial Charge precision Justin Lemkul
[gmx-users] velocity Justin Lemkul
[gmx-users] Periodic Molecules Justin Lemkul
[gmx-users] Periodic Molecules Justin Lemkul
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Justin Lemkul
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Justin Lemkul
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Justin Lemkul
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Justin Lemkul
[gmx-users] topology Justin Lemkul
[gmx-users] Error in NPT simulation Justin Lemkul
[gmx-users] How to define a vector for gangle command Justin Lemkul
[gmx-users] topology Justin Lemkul
[gmx-users] gmx conver-tpr error Justin Lemkul
[gmx-users] Virtual sites causing npt simulation instabilities Justin Lemkul
[gmx-users] Make a rigid Nanoparticle Justin Lemkul
[gmx-users] AMP_itp Justin Lemkul
[gmx-users] rmsd, Justin Lemkul
[gmx-users] rmsd, Justin Lemkul
[gmx-users] rmsd, Justin Lemkul
[gmx-users] -ndec option of trjconv Jicun Li
[gmx-users] -ndec option of trjconv Jicun Li
[gmx-users] stress calculation for version 5.0 and plus Tong Li
[gmx-users] is there a suitable FF for perovskite? Tong Li
[gmx-users] Bias potential during umbrella sampling Viveca Lindahl
[gmx-users] Bias potential during umbrella sampling Viveca Lindahl
[gmx-users] Protein protein complex simulation to be done with respect to observe changes in temperature SHYANTANI MAITI
[gmx-users] Box size to be considered for a protein of length 500 residues and dimension of protein is 6.5nm maximum. SHYANTANI MAITI
[gmx-users] gromacs.org_gmx-users Digest, Vol 169, Issue 67 SHYANTANI MAITI
[gmx-users] index two groups for the distance calculation MD
[gmx-users] index two groups for the distance calculation MD
[gmx-users] pull distance vs direction? Alex Mathew
[gmx-users] KCl forms crystals at c=0.15M with amber99sb-ildn Felipe Merino
[gmx-users] Contraints on both angles and dihedrals Felipe Merino
[gmx-users] g_cluster error Dr. Seema Mishra
[gmx-users] Rupture force definition Rakesh Mishra
[gmx-users] Rupture force definition Rakesh Mishra
[gmx-users] Rupture force definition Rakesh Mishra
[gmx-users] gmx with openmpi installed not on root Dariush Mohammadyani
[gmx-users] Problem in installing GROMACS 2018 Benson Muite
[gmx-users] Clarification on gmx mindist Sampurna Mukherjee
[gmx-users] Reference atoms for gmx mdmat and gmx rmsf Sampurna Mukherjee
[gmx-users] Reference atoms for gmx mdmat and gmx rmsf Sampurna Mukherjee
[gmx-users] Pulling two groups in opposite direction Naba
[gmx-users] Pulling two groups in opposite direction Naba
[gmx-users] Pulling two groups in opposite direction Naba
[gmx-users] Pulling two groups in opposite direction Naba
[gmx-users] Inconsistent non-bonded energy when using energy tables. Samuel Ntim
[gmx-users] calculating work done in SMD using gromacs 5.1.2 Chinmai P
[gmx-users] calculating work done in SMD using gromacs 5.1.2 Chinmai P
[gmx-users] free energy landscape Rezgar Pakravan
[gmx-users] Slowly changing the q and vdw interactions for free energy calculations Qasim Pars
[gmx-users] Slowly changing the q and vdw interactions for free energy calculations Qasim Pars
[gmx-users] Contraints on both angles and dihedrals Qasim Pars
[gmx-users] Removing water Negar Parvizi
[gmx-users] md simulation of a protein in mixture of water and DMSO Atila Petrosian
[gmx-users] velocity Atila Petrosian
[gmx-users] md simulation of oil hydrocarbon? Atila Petrosian
[gmx-users] velocity Atila Petrosian
[gmx-users] velocity Atila Petrosian
[gmx-users] velocity Atila Petrosian
[gmx-users] md simulation of oil hydrocarbon Atila Petrosian
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Atila Petrosian
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Atila Petrosian
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Atila Petrosian
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Atila Petrosian
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Atila Petrosian
[gmx-users] rdf at contact Faezeh Pousaneh
[gmx-users] rdf at contact Faezeh Pousaneh
[gmx-users] strange GPU load distribution Szilárd Páll
[gmx-users] Install Gromacs Cuda MacBook pro with eGPU OS X 10.13.4 Szilárd Páll
[gmx-users] gmx densmap Mohsen Ramezanpour
[gmx-users] gmx densmap Mohsen Ramezanpour
[gmx-users] Fluctuations in HII phase Mohsen Ramezanpour
[gmx-users] Fluctuations in HII phase Mohsen Ramezanpour
[gmx-users] rmsd, Amin Rouy
[gmx-users] rmsd, Amin Rouy
[gmx-users] rmsd, Amin Rouy
[gmx-users] rmsd, Amin Rouy
[gmx-users] H-Bond, regarding RAHUL SURESH
[gmx-users] Index file regarding RAHUL SURESH
[gmx-users] Index file regarding RAHUL SURESH
[gmx-users] Index file regarding RAHUL SURESH
[gmx-users] Implicit membrane in Gromacs, regarding RAHUL SURESH
[gmx-users] Implicit membrane in Gromacs, regarding RAHUL SURESH
[gmx-users] SMD regarding RAHUL SURESH
[gmx-users] SMD regarding RAHUL SURESH
[gmx-users] SMD regarding RAHUL SURESH
[gmx-users] AMP_simulation RAHUL SURESH
[gmx-users] AMP_simulation RAHUL SURESH
[gmx-users] Colchicine topology Harutyun Sahakyan
[gmx-users] make a rigid nanoparticle (internally freeze body while it can move as a rigid body ) Samieegohar, Mohammadreza
[gmx-users] Make a rigid Nanoparticle Samieegohar, Mohammadreza
[gmx-users] make a rigid nanoparticle (internally freeze body while it can move as a rigid body ) Samieegohar, Mohammadreza
[gmx-users] make a rigid nanoparticle (internally freeze body while it can move as a rigid body ) Samieegohar, Mohammadreza
[gmx-users] Looking for a Gromacs' tool to find lipid molecules which are located in a shell in the x-y plane around a drug molecule intercalated in a bilayer Seyed Mojtaba Rezaei Sani
[gmx-users] Looking for a Gromacs' tool to find lipid molecules which are located in a shell in the x-y plane around a drug molecule intercalated in a bilayer Seyed Mojtaba Rezaei Sani
[gmx-users] Looking for a Gromacs' tool to find lipid molecules which are located in a shell in the x-y plane around a drug molecule intercalated in a bilayer Seyed Mojtaba Rezaei Sani
[gmx-users] Does a logical pressure (1 Bar) can be reached in REMD? Soham Sarkar
[gmx-users] Does a logical pressure (1 Bar) can be reached in REMD? Soham Sarkar
[gmx-users] Does a logical pressure (1 Bar) can be reached in REMD? Soham Sarkar
[gmx-users] Does a logical pressure (1 Bar) can be reached in REMD? Soham Sarkar
[gmx-users] Quantification of overcharging Soham Sarkar
[gmx-users] Quantification of overcharging Soham Sarkar
[gmx-users] regarding rmsd calculation of protein Soham Sarkar
[gmx-users] regarding rmsd calculation of protein Soham Sarkar
[gmx-users] regarding rmsd calculation of protein Soham Sarkar
[gmx-users] regarding rmsd calculation of protein Soham Sarkar
[gmx-users] regarding rmsd calculation of protein Soham Sarkar
[gmx-users] regarding rmsd calculation of protein Soham Sarkar
[gmx-users] AMP_simulation Soham Sarkar
[gmx-users] Problem in installing GROMACS 2018 Soham Sarkar
[gmx-users] topology file Soham Sarkar
[gmx-users] Colchicine topology Soham Sarkar
[gmx-users] Colchicine topology Soham Sarkar
[gmx-users] calculation of distance between the center of geometry of two proteins Soham Sarkar
[gmx-users] calculation of distance between the center of geometry of two proteins Soham Sarkar
[gmx-users] calculation of distance between the center of geometry of two proteins Soham Sarkar
[gmx-users] gmx conver-tpr error Soham Sarkar
[gmx-users] Charmm-Gui output to Gromacs Frederic Schneider
[gmx-users] Molar heat capacity calculations Sushant Sharma
[gmx-users] Fwd: Molar heat capacity calculations Sushant Sharma
[gmx-users] Bias potential during umbrella sampling Meena Singh
[gmx-users] (no subject) Srijan Singh
[gmx-users] (no subject) Srijan Singh
[gmx-users] Simulating protein-lipid interactions Smith, Micholas D.
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Smith, Micholas D.
[gmx-users] md simulation of oil hydrocarbon / L-OPLS Smith, Micholas D.
[gmx-users] custom topology questions Eric Smoll
[gmx-users] REMD Eric Smoll
[gmx-users] Problem with gmx clustsize ..(Not enough memory. Failed to calloc) David van der Spoel
[gmx-users] Quantification of overcharging David van der Spoel
[gmx-users] REMD temperature_space Sundari
[gmx-users] REMD temperature_space Sundari
[gmx-users] REMD temperature_space Sundari
[gmx-users] I have not been able to do dPCA Seera Suryanarayana
[gmx-users] Production Run mdp file for Umbrella Sampling Nidhin Thomas
[gmx-users] How to put constraint Tom
[gmx-users] Periodic Molecules Lakshman Ji Verma
[gmx-users] Periodic Molecules Lakshman Ji Verma
[gmx-users] Periodic Molecules Lakshman Ji Verma
[gmx-users] multiple ion species in a single structure. Anna Vernon
[gmx-users] Final structure broken Quyen V. Vu
[gmx-users] Final structure broken Quyen V. Vu
[gmx-users] Simulation crashed, fatal error: Bond length not finite and warning: Pressure scaling more than 1%. Quyen V. Vu
[gmx-users] velocity Quyen V. Vu
[gmx-users] g_sas András Ferenc WACHA
[gmx-users] Core dumped in NVT Dallas Warren
[gmx-users] Box size Dallas Warren
[gmx-users] Fwd: Hydration Property of protein Dallas Warren
[gmx-users] Solvating a non-orthogonal box Dallas Warren
[gmx-users] Solvating a non-orthogonal box Dallas Warren
[gmx-users] AMP_simulation Dallas Warren
[gmx-users] Regarding calculation of SDF Dallas Warren
[gmx-users] rdf at contact Dallas Warren
[gmx-users] Virtual sites causing npt simulation instabilities Dallas Warren
[gmx-users] Contraints on both angles and dihedrals Ahmet Yildirim
[gmx-users] Contraints on both angles and dihedrals Ahmet Yildirim
[gmx-users] Contraints on both angles and dihedrals Ahmet Yildirim
[gmx-users] Topology file Salman Zarrini
[gmx-users] GROMACS- MAGNETIC FIELD Salman Zarrini
[gmx-users] Defining protonation in pdb2gmx input mhuhtala at abo.fi
[gmx-users] How to define a vector for gangle command delara aghaie
[gmx-users] Regarding MD simulations involving metal ion (Mn) Paul bauer
[gmx-users] Gromacs 2018 and GPU paul buscemi
[gmx-users] Gromacs 2018 and GPU paul buscemi
[gmx-users] Gromacs 2018 and GPU paul buscemi
[gmx-users] Gromacs 2018 and GPU paul buscemi
[gmx-users] Gromacs 2018 and GPU paul buscemi
[gmx-users] Gromacs 2018 and GPU paul buscemi
[gmx-users] V2018.1 building issues kevin chen
[gmx-users] V2018.1 building issues kevin chen
[gmx-users] Secondary structure of peptides m g
[gmx-users] gmx potential command m g
[gmx-users] gmx potential m g
[gmx-users] gmx potential m g
[gmx-users] replicates with different random seed vijayakumar gosu
[gmx-users] % of H-bond occupancy spss4 at iacs.res.in
[gmx-users] RDF calculation Esra kaçar
[gmx-users] Using the command -maxwarn sai manohar
[gmx-users] Using the command -maxwarn sai manohar
[gmx-users] QM-MM sai manohar
[gmx-users] QM-MM (sai manohar) sai manohar
[gmx-users] topology file mostafa paknia
[gmx-users] topology mostafa paknia
[gmx-users] Regarding protein-ligand-metal complex simulations dhaval patel
[gmx-users] Regarding MD simulations involving metal ion (Mn) dhaval patel
[gmx-users] Helical structure .itp file rose rahmani
[gmx-users] Box size rose rahmani
[gmx-users] Helical structure .itp file rose rahmani
[gmx-users] Distribution of water polarization rose rahmani
[gmx-users] Distribution of water polarization rose rahmani
[gmx-users] Distribution of water polarization rose rahmani
[gmx-users] Gmx insert rose rahmani
[gmx-users] Partial charges calculation rose rahmani
[gmx-users] mdrun error rose rahmani
[gmx-users] mdrun error rose rahmani
[gmx-users] S-S bond rose rahmani
[gmx-users] Purpose of using (reflecting) WALL in MD simulations? rose rahmani
[gmx-users] (no subject) alex rayevsky
[gmx-users] Electric field or CompEl protocol? alex rayevsky
[gmx-users] Electric field or CompEl protocol? alex rayevsky
[gmx-users] Electric field or CompEl protocol? alex rayevsky
[gmx-users] AMP_simulation niki24 at tezu.ernet.in
[gmx-users] gromacs.org_gmx-users Digest, Vol 169, Issue 89 niki24 at tezu.ernet.in
[gmx-users] gromacs.org_gmx-users Digest, Vol 169, Issue 96 niki24 at tezu.ernet.in
[gmx-users] (no subject) niki24 at tezu.ernet.in
[gmx-users] AMP_itp niki24 at tezu.ernet.in
[gmx-users] Covarience matrix eps file atom interval set -reg venkat
[gmx-users] there are fewer frames in your trajectory than there are degrees of freedom in your system. venkat
[gmx-users] Restarting crashed simmulation. neelam wafa
[gmx-users] Restarting crashed simmulation. neelam wafa
[gmx-users] Restarting crashed simmulation. neelam wafa
[gmx-users] Restarting crashed simmulation. neelam wafa
[gmx-users] Restarting crashed simmulation. neelam wafa
[gmx-users] Restarting crashed simmulation. neelam wafa
[gmx-users] Restarting crashed simmulation. neelam wafa
[gmx-users] Restarting crashed simmulation. neelam wafa
[gmx-users] Restarting crashed simmulation. neelam wafa
[gmx-users] Install Gromacs Cuda MacBook pro with eGPU OS X 10.13.4 Владимир Богданов
[gmx-users] GROMACS- MAGNETIC FIELD حبيبة علي
[gmx-users] GROMACS- MAGNETIC FIELD حبيبة علي
[gmx-users] GROMACS- MAGNETIC FIELD حبيبة علي
[gmx-users] the influence of the frozen wall during the adsorption 张明敏
[gmx-users] pure methane condensation in NVT simulation 耿明

Last message date: Thu May 31 19:54:06 CEST 2018
Archived on: Thu May 31 19:54:08 CEST 2018

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