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• 2012/03/08 Re: [gmx-users] Recommended protocol for cooling down temperature in 50 K steps Justin A. Lemkul
• 2012/03/08 [gmx-users] Recommended protocol for cooling down temperature in 50 K steps Andrew DeYoung
• 2012/03/08 Re: [gmx-users] I need a tutorial for gromacs-4.0.5 Mark Abraham
• 2012/03/08 Re: [gmx-users] I need a tutorial for gromacs-4.0.5 Dialing Pretty
• 2012/03/08 Re: [gmx-users] I need a tutorial for gromacs-4.0.5 Mark Abraham
• 2012/03/08 [gmx-users] I need a tutorial for gromacs-4.0.5 Dialing Pretty
• 2012/03/08 [gmx-users] Re: g_helix not recognizing protein backbone MPID
• 2012/03/08 Re: [gmx-users] 'not allocate memory' Justin A. Lemkul
• 2012/03/08 [gmx-users] 'not allocate memory' saly jackson
• 2012/03/08 Re: [gmx-users] g_helix not recognizing protein backbone Justin A. Lemkul
• 2012/03/08 Re: [gmx-users] g_helix not recognizing protein backbone Mark Abraham
• 2012/03/08 Re: [gmx-users] Re: Re: hydrophobic and hydrophilic in implicit solvent Mark Abraham
• 2012/03/08 Re: [gmx-users] Read mdcrd from AMBER ---> Error Message Mark Abraham
• 2012/03/08 [gmx-users] g_helix not recognizing protein backbone MPID
• 2012/03/08 Re: [gmx-users] Martini Dariush Mohammadyani
• 2012/03/08 [gmx-users] Martini dina dusti
• 2012/03/08 [gmx-users] Re: Re: hydrophobic and hydrophilic in implicit solvent bo.shuang
• 2012/03/08 Re: [gmx-users] Martini Dariush Mohammadyani
• 2012/03/08 [gmx-users] Martini dina dusti
• 2012/03/08 Re: [gmx-users] (no subject) Justin A. Lemkul
• 2012/03/08 [gmx-users] 'not allocate memory' saly jackson
• 2012/03/08 [gmx-users] (no subject) saly jackson
• 2012/03/08 Re: [gmx-users] Radial distribution function by COM Justin A. Lemkul
• 2012/03/08 [gmx-users] Radial distribution function by COM Fabian Casteblanco
• 2012/03/08 Re: [gmx-users] Read mdcrd from AMBER ---> Error Message francesco oteri
• 2012/03/08 Re: [gmx-users] g_select vs trjorder Justin A. Lemkul
• 2012/03/08 [gmx-users] Read mdcrd from AMBER ---> Error Message a a
• 2012/03/08 [gmx-users] Periodic molecules and minimum bonded cut-off Andrew DeYoung
• 2012/03/08 [gmx-users] g_select vs trjorder leila karami
• 2012/03/08 [gmx-users] g_select vs trjorder leila karami
• 2012/03/08 Re: [gmx-users] g_select vs trjorder Justin A. Lemkul
• 2012/03/08 Re: [gmx-users] Umbrella Sampling - Ligand Protein Steven Neumann
• 2012/03/08 [gmx-users] g_select vs trjorder leila karami
• 2012/03/08 Re: [gmx-users] a request regarding pdb2gmx and specbond.dat francesco oteri
• 2012/03/08 Re: [gmx-users] Umbrella Sampling - Ligand Protein Justin A. Lemkul
• 2012/03/08 Re: [gmx-users] g_select vs trjorder Justin A. Lemkul
• 2012/03/08 [gmx-users] Umbrella Sampling - Protein Ligand Steven Neumann
• 2012/03/08 [gmx-users] g_select vs trjorder leila karami
• 2012/03/08 [gmx-users] g_select vs trjorder leila karami
• 2012/03/08 Re: [gmx-users] g_energy Kinetic Energy Justin A. Lemkul
• 2012/03/08 [gmx-users] a request regarding pdb2gmx and specbond.dat Ehud Schreiber
• 2012/03/08 Re: [gmx-users] How to input multiple trr files? francesco oteri
• 2012/03/08 RE: [gmx-users] How to input multiple trr files? Mark Abraham
• 2012/03/08 [gmx-users] g_energy Kinetic Energy Hovakim Grabski
• 2012/03/08 RE: [gmx-users] How to input multiple trr files? a a
• 2012/03/08 Re: [gmx-users] How to input multiple trr files? Mark Abraham
• 2012/03/08 [gmx-users] How to interpret the cosine content result? a a
• 2012/03/08 [gmx-users] How to input multiple trr files? a a
• 2012/03/08 [gmx-users] Fwd: charm to gromacs francesco oteri
• 2012/03/08 [gmx-users] charm to gromacs francesco oteri
• 2012/03/08 Re: [gmx-users] Gromacs 3.3.3 on Lion Xgrid Mark Abraham
• 2012/03/08 Re: [gmx-users] Residue 'NAG' not found in residue topology database Mark Abraham
• 2012/03/08 Re: [gmx-users] g_select problem (Invalid command line argument:) Mark Abraham
• 2012/03/08 Re: [gmx-users] g_select problem (Invalid command line argument:) Tsjerk Wassenaar
• 2012/03/08 Re: [gmx-users] Gromacs 3.3.3 on Lion Xgrid Esztermann, Ansgar
• 2012/03/08 [gmx-users] Residue 'NAG' not found in residue topology database pragna lakshmi
• 2012/03/07 [gmx-users] g_select problem (Invalid command line argument:) leila karami
• 2012/03/07 Re: [gmx-users] Periodic molecules and minimum bonded cut-off Mark Abraham
• 2012/03/07 Re: [gmx-users] mdrun - topol.tpr Mark Abraham
• 2012/03/07 Re: [gmx-users] mdrun - topol.tpr Siew Wen Leong
• 2012/03/07 Re: [gmx-users] Periodic molecules and minimum bonded cut-off Justin A. Lemkul
• 2012/03/07 [gmx-users] Periodic molecules and minimum bonded cut-off Andrew DeYoung
• 2012/03/07 Re: [gmx-users] hydrophobic and hydrophilic in implicit solvent Justin A. Lemkul
• 2012/03/07 Re: Re: [gmx-users] hydrophobic and hydrophilic in implicit solvent bo.shuang
• 2012/03/07 [gmx-users] SUGAR-PIE: Scripted Utility to Get Atomic Resolution by Positional Interpolation/Extrapolation Ángel Piñeiro
• 2012/03/07 Re: [gmx-users] grompp - Group protein not found Mark Abraham
• 2012/03/07 [gmx-users] Re: g_rotacf autocorrelation function Yongchul Chung
• 2012/03/07 Re: [gmx-users] Missing Interactions in [ angles ] Section in Topology Peter C. Lai
• 2012/03/07 Re: [gmx-users] grompp - Group protein not found Peter C. Lai
• 2012/03/07 Re: [gmx-users] hydrophobic and hydrophilic in implicit solvent Mark Abraham
• 2012/03/07 Re: [gmx-users] HOW TO USE SILVER ATOMS IN AMBER99 FORCE FIELD Mark Abraham
• 2012/03/07 Re: [gmx-users] grompp - Group protein not found Mark Abraham
• 2012/03/07 Re: [gmx-users] LINCS problem with EM and Virtual sites Mark Abraham
• 2012/03/07 Re: [gmx-users] g_select problem (Invalid command line argument:) Justin A. Lemkul
• 2012/03/07 Re: [gmx-users] Missing Interactions in [ angles ] Section in Topology Justin A. Lemkul
• 2012/03/07 [gmx-users] questions about Principal Component Analysis Thomas Evangelidis
• 2012/03/07 [gmx-users] g_rotacf autocorrelation function Yongchul Chung
• 2012/03/07 [gmx-users] LINCS problem with EM and Virtual sites francesco oteri
• 2012/03/07 Re: [gmx-users] HOW TO USE SILVER ATOMS IN AMBER99 FORCE FIELD Peter C. Lai
• 2012/03/07 Re: [gmx-users] Missing Interactions in [ angles ] Section in Topology Peter C. Lai
• 2012/03/07 Re: [gmx-users] grompp - Group protein not found Peter C. Lai
• 2012/03/07 Re: [gmx-users] Missing Interactions in [ angles ] Section in Topology Lara Bunte
• 2012/03/07 [gmx-users] grompp - Group protein not found Lara Bunte
• 2012/03/07 [gmx-users] hydrophobic and hydrophilic in implicit solvent bo.shuang
• 2012/03/07 [gmx-users] g_select problem (Invalid command line argument:) leila karami
• 2012/03/07 [gmx-users] HOW TO USE SILVER ATOMS IN AMBER99 FORCE FIELD Kavosh Zandsalimi
• 2012/03/07 Re: [gmx-users] mdrun - topol.tpr Dommert Florian
• 2012/03/07 [gmx-users] mdrun - topol.tpr Lara Bunte
• 2012/03/07 Re: [gmx-users] Umbrella_pull_simulation Justin A. Lemkul
• 2012/03/07 Re: [gmx-users] Umbrella_pull_simulation shahid nayeem
• 2012/03/06 [gmx-users] g_fg2cg dina dusti
• 2012/03/06 Re: [gmx-users] how to add custom potential function Mark Abraham
• 2012/03/06 [gmx-users] how to add custom potential function smith bill
• 2012/03/06 Re: [gmx-users] g_fg2cg XAvier Periole
• 2012/03/06 Re: [gmx-users] g_sdf -> and g_spatial Justin A. Lemkul
• 2012/03/06 [gmx-users] g_sdf -> and g_spatial Dallas Warren
• 2012/03/06 Re: [gmx-users] Gromacs 3.3.3 on Lion Xgrid Peter C. Lai
• 2012/03/06 [gmx-users] Gromacs 3.3.3 on Lion Xgrid Benjamin Hall
• 2012/03/06 Re: [gmx-users] Inconsistent shifts - is it something wrong with pbc ming ma
• 2012/03/06 Re: [gmx-users] Inconsistent shifts - is it something wrong with pbc Justin A. Lemkul
• 2012/03/06 [gmx-users] Inconsistent shifts - is it something wrong with pbc ming ma
• 2012/03/06 Re: [gmx-users] Missing Interactions in [ angles ] Section in Topology Justin A. Lemkul
• 2012/03/06 Re: [gmx-users] Missing Interactions in [ angles ] Section in Topology Justin A. Lemkul
• 2012/03/06 [gmx-users] Missing Interactions in [ angles ] Section in Topology Lara Bunte
• 2012/03/06 Re: [gmx-users] Two [ dihedrals ] Sections in Topology Justin A. Lemkul
• 2012/03/06 [gmx-users] Two [ dihedrals ] Sections in Topology Lara Bunte
• 2012/03/06 Re: [gmx-users] [ pairs ] section in topology Justin A. Lemkul
• 2012/03/06 [gmx-users] [ pairs ] section in topology Lara Bunte
• 2012/03/06 [gmx-users] g_fg2cg dina dusti
• 2012/03/06 Re: [gmx-users] grompp - Invalid command line argument Justin A. Lemkul
• 2012/03/06 [gmx-users] grompp - Invalid command line argument Lara Bunte
• 2012/03/06 Re: [gmx-users] tpbconv to extend a simulation Justin A. Lemkul
• 2012/03/06 [gmx-users] tpbconv to extend a simulation Juliette N.
• 2012/03/06 [gmx-users] Helix - Ligand binding - mimic stability Steven Neumann
• 2012/03/06 Re: [gmx-users] one ligand in ATB Tsjerk Wassenaar
• 2012/03/06 [gmx-users] one ligand in ATB ahmet yıldırım
• 2012/03/06 Re: [gmx-users] Coupling groups Steven Neumann
• 2012/03/06 Re: [gmx-users] Coupling groups Mark Abraham
• 2012/03/06 Re: [gmx-users] Coupling groups Steven Neumann
• 2012/03/06 Re: [gmx-users] Coupling groups Mark Abraham
• 2012/03/06 Re: [gmx-users] g_bar bug with temperature Mark Abraham
• 2012/03/06 [gmx-users] g_bar bug with temperature Tom Kirchner
• 2012/03/05 [gmx-users] spatial distribution function prema . a
• 2012/03/05 Re: [gmx-users] a question related to MD by gromacs Justin A. Lemkul
• 2012/03/05 [gmx-users] a question related to MD by gromacs Dialing Pretty
• 2012/03/05 Re:Re: [gmx-users] grompp error - bondedtypes Kukol, Andreas
• 2012/03/05 Re: [gmx-users] grompp error - bondedtypes Justin A. Lemkul
• 2012/03/05 Re: [gmx-users] grompp error - bondedtypes Justin A. Lemkul
• 2012/03/05 [gmx-users] grompp error - bondedtypes Lara Bunte
• 2012/03/05 Re: [gmx-users] em.mdp file Justin A. Lemkul
• 2012/03/05 Re: [gmx-users] em.mdp file Justin A. Lemkul
• 2012/03/05 RE: [gmx-users] em.mdp file Marzinek, Jan
• 2012/03/05 [gmx-users] em.mdp file Lara Bunte
• 2012/03/05 Re: [gmx-users] cannot determine precision of trn file Mark Abraham
• 2012/03/05 Re: [gmx-users] folding of coordinates in trajectory files Mark Abraham
• 2012/03/05 Re: [gmx-users] folding of coordinates in trajectory files Jeff Armstrong
• 2012/03/05 Re: [gmx-users] segmentation fault err Mark Abraham
• 2012/03/05 Re: [gmx-users] Imitation of the protein part Justin A. Lemkul
• 2012/03/05 [gmx-users] folding of coordinates in trajectory files Gavin Melaugh
• 2012/03/05 [gmx-users] segmentation fault err shilpa yadahalli
• 2012/03/05 Re: [gmx-users] Acpype Parameter Error? Alan
• 2012/03/05 [gmx-users] Imitation of the protein part Steven Neumann
• 2012/03/05 Re: [gmx-users] Re: Lennard-Jones Interactions in Gromacs Justin A. Lemkul
• 2012/03/05 Re: [gmx-users] cannot determine precision of trn file Nidhi Katyal
• 2012/03/05 Re: [gmx-users] g_msd segmentation fault Dommert Florian
• 2012/03/05 Re: [gmx-users] Umbrella Sampling - NPT Justin A. Lemkul
• 2012/03/05 Re: [gmx-users] Re: how modify the forcefield amino acid definitions for non-naturally occuring amino acids? Justin A. Lemkul
• 2012/03/05 Re: [gmx-users] Simple LJ system Justin A. Lemkul
• 2012/03/05 Re: [gmx-users] How to answer in this mailing list? Lara Bunte
• 2012/03/05 Re: [gmx-users] g_msd segmentation fault Mark Abraham
• 2012/03/05 Re: [gmx-users] How to answer in this mailing list? Mark Abraham
• 2012/03/05 Re: [gmx-users] a warning in grompp Justin A. Lemkul
• 2012/03/05 [gmx-users] g_msd segmentation fault Gavin Melaugh
• 2012/03/05 [gmx-users] How to answer in this mailing list? Lara Bunte
• 2012/03/05 [gmx-users] a warning in grompp Banafsheh Mehrazma
• 2012/03/05 [gmx-users] [ bondedtypes ] Lara Bunte
• 2012/03/05 Re: [gmx-users] Re: Gromacs-GPU benchmark test killed after exhausting the memory Szilárd Páll
• 2012/03/05 [gmx-users] Simple LJ system Jeff Armstrong
• 2012/03/05 Re: [gmx-users] Distance between selected atoms during simulation Mark Abraham
• 2012/03/05 Re: [gmx-users] cannot determine precision of trn file Mark Abraham
• 2012/03/05 [gmx-users] Distance between selected atoms during simulation James Starlight
• 2012/03/05 [gmx-users] cannot determine precision of trn file Nidhi Katyal
• 2012/03/05 [gmx-users] Umbrella Sampling - NPT Steven Neumann
• 2012/03/04 [gmx-users] Re: how modify the forcefield amino acid definitions for non-naturally occuring amino acids? Kirill Bessonov
• 2012/03/04 [gmx-users] Re: Test particle insertion extra coordinate MPID
• 2012/03/04 Re: [gmx-users] Re: Test particle insertion extra coordinate João M . Damas
• 2012/03/04 [gmx-users] Re: Test particle insertion extra coordinate MPID
• 2012/03/04 Re: [gmx-users] Re: Test particle insertion extra coordinate João M . Damas
• 2012/03/04 [gmx-users] Re: Test particle insertion extra coordinate MPID
• 2012/03/04 Re: [gmx-users] Amber99bsc0 Matthias Ernst
• 2012/03/04 Re: [gmx-users] how modify the forcefield amino acid definitions for non-naturally occuring amino acids? Justin A. Lemkul
• 2012/03/04 Re: [gmx-users] Is TRO defined correctly in the ffG43a1p forcefield file? Justin A. Lemkul
• 2012/03/04 [gmx-users] Is TRO defined correctly in the ffG43a1p forcefield file? Kirill Bessonov
• 2012/03/04 [gmx-users] how modify the forcefield amino acid definitions for non-naturally occuring amino acids? Kirill Bessonov
• 2012/03/04 Re: [gmx-users] Advice on High Precision Structure File Formats David van der Spoel
• 2012/03/04 [gmx-users] Advice on High Precision Structure File Formats Andrew DeYoung
• 2012/03/04 [gmx-users] Amber99bsc0 Amir Abbasi
• 2012/03/04 [gmx-users] Re: Gromacs-GPU benchmark test killed after exhausting the memory Efrat Exlrod
• 2012/03/04 Re: [gmx-users] problem in using OPLS forcefield parameter in lipid simulation Mark Abraham
• 2012/03/04 [gmx-users] problem in using OPLS forcefield parameter in lipid simulation Anushree Tripathi
• 2012/03/03 [gmx-users] Help us steer future GROMACS development, with a chance to win a $2000+ Tesla C2075 GPU Erik Lindahl
• 2012/03/02 Re: [gmx-users] do_dssp segmentation fault Mark Abraham
• 2012/03/02 Re: [gmx-users] Anomalous temperature Mark Abraham
• 2012/03/02 Re: [gmx-users] do_dssp segmentation fault Mark Abraham
• 2012/03/02 [gmx-users] do_dssp segmentation fault arun kumar
• 2012/03/02 [gmx-users] Anomalous temperature zhongjin
• 2012/03/02 Re: [gmx-users] Re: Re: Re: Re: mdrun -multi flag (Mark Abraham) (Justin A. Lemkul) Mark Abraham
• 2012/03/02 Re: [gmx-users] [ bondedtypes ] Mark Abraham
• 2012/03/02 Re: [gmx-users] Re: Re: Re: Re: mdrun -multi flag (Mark Abraham) (Justin A. Lemkul) Justin A. Lemkul
• 2012/03/02 [gmx-users] Re: Re: Re: Re: mdrun -multi flag (Mark Abraham) (Justin A. Lemkul) bo.shuang
• 2012/03/02 Re: [gmx-users] [ bondedtypes ] Justin A. Lemkul
• 2012/03/02 Re: [gmx-users] Re: Lennard-Jones Interactions in Gromacs Justin A. Lemkul
• 2012/03/02 [gmx-users] Re: Lennard-Jones Interactions in Gromacs Lara Bunte
• 2012/03/02 [gmx-users] [ bondedtypes ] Lara Bunte
• 2012/03/02 Re: [gmx-users] Extending simulation with -pd Peter C. Lai
• 2012/03/02 Re: [gmx-users] Re: Re: mdrun -multi flag (Mark Abraham) Justin A. Lemkul
• 2012/03/02 [gmx-users] Re: Re: mdrun -multi flag (Mark Abraham) bo.shuang
• 2012/03/02 [gmx-users] Lennard-Jones Interactions in Gromacs Lara Bunte
• 2012/03/02 Re: [gmx-users] impropers and residue number Justin A. Lemkul
• 2012/03/02 [gmx-users] impropers and residue number Lara Bunte

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