January 2007 Archives by author

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Starting: Mon Jan 1 11:39:57 CET 2007
Ending: Wed Jan 31 19:43:27 CET 2007
Messages: 461

[gmx-users] Error when adding a unnatural amio acid Mu Yuguang (Dr)
[gmx-users] afm does not work! zzhwise1 at 163.com
[gmx-users] about afm ! zzhwise1 at 163.com
[gmx-users] (no subject) Mark Abraham
[gmx-users] pdb for a structure with more then 300 atoms Mark Abraham
[gmx-users] Error in .top file for grompp Mark Abraham
[gmx-users] Difference in the Forcefields and speed... Mark Abraham
[gmx-users] Are the constraint forces included in the forces outputed in the trr file? Mark Abraham
[gmx-users] Installation of Gromacs and speed... Mark Abraham
[gmx-users] tau_p Mark Abraham
[gmx-users] afm does not work! Mark Abraham
[gmx-users] problem with genion Mark Abraham
[gmx-users] tau_p Mark Abraham
[gmx-users] Error in .top when running grompp for final product MD Mark Abraham
[gmx-users] tau_p Mark Abraham
[gmx-users] How can I generate a FCC unit cell? Mark Abraham
[gmx-users] Re: question about dihedral angle in *.itp file Mark Abraham
[gmx-users] PMF calculation Mark Abraham
[gmx-users] Placing the molecule in the centre of the box Mark Abraham
[gmx-users] Error during mdrun Mark Abraham
[gmx-users] Error during mdrun Mark Abraham
[gmx-users] freeze group Mark Abraham
[gmx-users] The meaning of rlist and rcoulomb for coulombtype=reaction-field Mark Abraham
[gmx-users] about afm ! Mark Abraham
[gmx-users] compressibility value for SPC water Mark Abraham
[gmx-users] Error during mdrun Mark Abraham
[gmx-users] Re: Can I run BD in water media using Gmx? (Hu Zhongqiao) Mark Abraham
[gmx-users] The meaning of rlist and rcoulomb for coulombtype=reaction-field Mark Abraham
[gmx-users] energy Mark Abraham
[gmx-users] 2 questions: pdb2gmx and genbox Mark Abraham
[gmx-users] Segmentation error (core dump) Mark Abraham
[gmx-users] infinitive force acting on atom during Mark Abraham
Fw: Re: Re: [gmx-users] error while compilation of Gromacs3.3.1..... Mark Abraham
[gmx-users] How to run NPT (anisotropic simulatio) for urea-water system with variable axis only in z direction Mark Abraham
[gmx-users] How to check whether GROMACS was installed correctly? Mark Abraham
[gmx-users] How to check whether GROMACS was installed correctly? Mark Abraham
[gmx-users] Error in Energy Minimization Mark Abraham
[gmx-users] Where is my bin? Mark Abraham
[gmx-users] Error in Energy Minimization Mark Abraham
[gmx-users] Disulfide between protein Cys and GSH Mark Abraham
[gmx-users] Disulfide between protein Cys and GSH Mark Abraham
[gmx-users] Disulfide between protein Cys and GSH Mark Abraham
[gmx-users] pdb2gmx and his-heme group Mark Abraham
[gmx-users] Error while compilation of Gromacs 3.3.1..... Mark Abraham
[gmx-users] MPIRUN error while running position restrained MD Mark Abraham
[gmx-users] Long range energies Mark Abraham
[gmx-users] how to calculate internal energy for energygroups? Mark Abraham
[gmx-users] N/A Mark Abraham
[gmx-users] Comparison of hydrogen bond number Mark Abraham
[gmx-users] g_energy Mark Abraham
[gmx-users] MPIRUN error while running position restrained MD Mark Abraham
[gmx-users] MD Error after adding a unnatural amio acid Mark Abraham
[gmx-users] LINCS error during mdrun Mark Abraham
[gmx-users] g_energy Mark Abraham
[gmx-users] query about protein contact map and salt concentration Mark Abraham
[gmx-users] Re: gromacs and pH description! Mark Abraham
[gmx-users] SS bond Mark Abraham
[gmx-users] units of force constants in posre.itp file Mark Abraham
[gmx-users] How To Adjust the Ionizataion State Mark Abraham
[gmx-users] Carlos Javier Nuñez Aguero
[gmx-users] problem with genion Abil Aliev
[gmx-users] problem with genion Abil Aliev
[gmx-users] (no subject) Caterina Arcangeli
[gmx-users] About g_cluster Caterina Arcangeli
[gmx-users] generation of a box of water K.F. Austen
[gmx-users] generation of a box of water K.F. Austen
[gmx-users] how to calculate internal energy for energygroups? Marc Baaden
[gmx-users] how to calculate internal energy for energygroups? Marc Baaden
[gmx-users] how to calculate internal energy for energygroups? Marc Baaden
[gmx-users] how to calculate internal energy for energygroups? Marc Baaden
[gmx-users] how to calculate internal energy for energygroups? Marc Baaden
[gmx-users] pdb2gmx and his-heme group Anthony Cruz Balberdi
[gmx-users] Re: gromacs and pH description! Antonio Baptista
[gmx-users] Re: generation of a box of water Jeroen van Bemmelen
[gmx-users] freeze group Bio
[gmx-users] Benchmarking for Intel Core 2 Extreme QX6700 CPU Eran Bosis
[gmx-users] units of force constants in posre.itp file Michael Brunsteiner
[gmx-users] free energy calculation Paolo Cerri
[gmx-users] lambda dependence of nonbonded parameters Paolo Cerri
[gmx-users] The meaning of rlist and rcoulomb for coulombtype=reaction-field John D. Chodera
[gmx-users] center of mass motion in lipid bilayer Jian Dai
[gmx-users] mdrun error during pr Dhananjay
[gmx-users] box size for simulation of membrane protein Alan Dodd
[gmx-users] inconsistent XTC/Magic number error in g_density Alan Dodd
[gmx-users] inconsistent XTC/Magic number error in g_density Alan Dodd
[gmx-users] inconsistent XTC/Magic number error in g_density Alan Dodd
[gmx-users] Re: long range energy Alan Dodd
[gmx-users] problem running posre Alan Dodd
[gmx-users] eneconv error Alan Dodd
[gmx-users] g_sdf function in a 2D map Afonso Duarte
[gmx-users] question regarding g_sham Afonso Duarte
[gmx-users] Info on g_sas DGsolv Afonso Duarte
[gmx-users] Problem running do_dssp Afonso Duarte
[gmx-users] ghbond/- hbn option OZGE ENGIN
[gmx-users] /x?.FPIB.CCI_6NF.QSgKkRQ.a OZGE ENGIN
[gmx-users] hbond types over each frame OZGE ENGIN
[gmx-users] hbhelix,hbond,hbnum files OZGE ENGIN
[gmx-users] trjconv(extraction of certain frames) OZGE ENGIN
[gmx-users] Comparison of hydrogen bond number OZGE ENGIN
[gmx-users] Where is my bin? Ansgar Esztermann
[gmx-users] MANPATH setting in GMXRC.bash Ansgar Esztermann
[gmx-users] MANPATH setting in GMXRC.bash Ansgar Esztermann
[gmx-users] Re: g_lie function Anton Feenstra
[gmx-users] How can I generate a FCC unit cell? Eudes Fileti
[gmx-users] Re: gmx-users Digest, Vol 33, Issue 69 Eudes Fileti
[gmx-users] Calculation of the angle between planes: g_sgangle Eudes Fileti
[gmx-users] Re: gmx-users Digest, Vol 33, Issue 70 Eudes Fileti
[gmx-users] g_sorient. Only for water? Eudes Fileti
[gmx-users] g_sorient. Again. Eudes Fileti
[gmx-users] g_sorient to ethanol Eudes Fileti
[gmx-users] Essential Dynamics Sampling (EDS) MD Ran Friedman
[gmx-users] Essential Dynamics Sampling (EDS) MD Ran Friedman
[gmx-users] Essential Dynamics Sampling (EDS) MD Ran Friedman
[gmx-users] Essential Dynamics Sampling (EDS) MD Ran Friedman
[gmx-users] Essential Dynamics Sampling (EDS) MD Ran Friedman
[gmx-users] dihedral Prasad Gajula
[gmx-users] MANPATH setting in GMXRC.bash Ignacio Fernández Galván
[gmx-users] MANPATH setting in GMXRC.bash Ignacio Fernández Galván
[gmx-users] infinitive force acting on atom during Sivashangari Gnanasambandam
[gmx-users] How to run NPT (anisotropic simulatio) for urea-water system with variable axis only in z direction Sivashangari Gnanasambandam
[gmx-users] GROMACS AMBER DNA TERMINUS Maik Goette
[gmx-users] about afm ! Maik Goette
[gmx-users] free energy calculation Maik Goette
[gmx-users] g_enemat Dmitriy Golubobsky
[gmx-users] coil-globule Dmitriy Golubobsky
[gmx-users] g_energy Dmitriy Golubobsky
[gmx-users] g_gyrate Dmitriy Golubobsky
[gmx-users] Re: gmx-users Digest, Vol 33, Issue 67 Dmitriy Golubobsky
[gmx-users] g_gyrate Dmitriy Golubobsky
[gmx-users] Essential Dynamics Sampling (EDS) MD Bert de Groot
[gmx-users] Essential Dynamics Sampling (EDS) MD Bert de Groot
[gmx-users] g_rotacf Rama Gullapalli
[gmx-users] Re: Can I run BD in water media using Gmx? (Hu Zhongqiao) H.J.Risselada
[gmx-users] Re: Can I run BD in water media using Gmx? (H.J.Risselada) H.J.Risselada
[gmx-users] energy Florian Haberl
[gmx-users] trjconv(extraction of certain frames) Florian Haberl
[gmx-users] N/A Florian Haberl
[gmx-users] Re: gromacs and pH description! Florian Haberl
[gmx-users] analyze an md run Florian Haberl
[gmx-users] Gromacs 3.2.1: catastrophic error: could not open source file "sfftw.h" Mike Hanby
[gmx-users] Gromacs 3.2.1: catastrophic error: could not open source file "sfftw.h" Mike Hanby
[gmx-users] RE: Gromacs 3.2.1: catastrophic error: could not open source file "sfftw.h" Mike Hanby
[gmx-users] Gromacs 3.2.1: catastrophic error: could not opensource file "sfftw.h" Mike Hanby
[gmx-users] Signal:11 info.si_errno:0(Success) si_code:1(SEGV_MAPERR) Mike Hanby
[gmx-users] compile Gromacs 3.2.1: line 0: unexpected EOF while looking for matching `"' Mike Hanby
[gmx-users] Free Radicals emra Heshmati
[gmx-users] Are the constraint forces included in the forcesoutputed in the Berk Hess
[gmx-users] Are the constraint forces included inthe forcesoutputed in the Berk Hess
[gmx-users] epsilon_rf Berk Hess
[gmx-users] Re: long range energy Berk Hess
[gmx-users] long range energy Berk Hess
[gmx-users] long range energy Berk Hess
[gmx-users] Keeping replica numbers consistent when restartinga replica exch Berk Hess
[gmx-users] g_sorient. Only for water? Berk Hess
[gmx-users] g_sorient. Again. Berk Hess
[gmx-users] g_sorient to ethanol Berk Hess
[gmx-users] g_sorient to ethanol Berk Hess
[gmx-users] 3D-distribution Roman Holomb
[gmx-users] error while compilation of Gromacs 3.3.1..... Martin Höfling
[gmx-users] error while compilation of Gromacs 3.3.1..... Martin Höfling
Fw: Re: Re: [gmx-users] error while compilation of Gromacs3.3.1..... Martin Höfling
[gmx-users] error while compilation of Gromacs 3.3.1..... Martin Höfling
[gmx-users] Error while compilation of Gromacs 3.3.1..... Martin Höfling
[gmx-users] Error while compilation of Gromacs 3.3.1..... Martin Höfling
[gmx-users] Replica Exchange Analysis Tools Robert Johnson
[gmx-users] Replica Exchange Analysis Tools Robert Johnson
[gmx-users] Error using -demux flag in trjcat (development version) Robert Johnson
[gmx-users] how to calculate internal energy for energygroups? Robert Johnson
[gmx-users] how to calculate internal energy for energygroups? Robert Johnson
[gmx-users] generation of a box of water Robert Johnson
[gmx-users] Keeping replica numbers consistent when restarting a replica exchange simulation Robert Johnson
[gmx-users] Keeping replica numbers consistent when restartinga replica exch Robert Johnson
[gmx-users] g-msd diffusion of molecules Jun Soo Kim
[gmx-users] epsilon_rf Volker Knecht
[gmx-users] How to check whether GROMACS was installed correctly? Vladimir Korostelev
[gmx-users] How to check whether installation of GROMACS was correct? Vladimir Korostelev
[gmx-users] How to check whether GROMACS was installed correctly? Vladimir Korostelev
[gmx-users] Why GROMACS demo fails? Vladimir Korostelev
[gmx-users] Where is my bin? Vladimir Korostelev
[gmx-users] Where is my bin? Vladimir Korostelev
[gmx-users] Where is my bin? Vladimir Korostelev
[gmx-users] g_rdf Krapnik
[gmx-users] problem with g_energy tool Veera Krasnenko
[gmx-users] GROMACS AMBER DNA TERMINUS Andreas Kukol
[gmx-users] glutathionylation and SS bonds formation in GMX Marc F. Lensink
[gmx-users] infinitive force acting on atom during minimization Joern Lenz
[gmx-users] infinitive force acting on atom during Joern Lenz
[gmx-users] analyze an md run Joern Lenz
[gmx-users] Twin-range neighbour searching (NS) with simple NS algorithm not implemented DeChang Li
[gmx-users] [Beginner] How can I generate .gro and .top? Marcelo de Freitas Lima
[gmx-users] [Beginner] How can I generate .gro and .top? Marcelo de Freitas Lima
[gmx-users] Benchmarking for Intel Core 2 Extreme QX6700 CPU Erik Lindahl
[gmx-users] Are the constraint forces included in the forces outputed in the trr file? Pu Liu
[gmx-users] Are the constraint forces included intheforcesoutputed in the Pu Liu
[gmx-users] Has the forces for virtual sites in the trr file been reditributed? Pu Liu
[gmx-users] Has the forces for virtual sites in the trr filebeen reditributed? Pu Liu
[gmx-users] tau_p Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] protein goes out from the waterbox during MD Pedro Alexandre de Araújo Gomes Lapido Loureiro
[gmx-users] output of 'mdrun' with conjugate gradient Karina Mai
[gmx-users] ghbond/- hbn option Erik Marklund
[gmx-users] Re: Some questions about genbox and EM (Tsjerk Wassenaar) Erik Marklund
[gmx-users] hbond types over each frame Erik Marklund
[gmx-users] GROMACS AMBER DNA TERMINUS Erik Marklund
[gmx-users] PBC in g_gyrate Erik Marklund
[gmx-users] PBC in g_gyrate Erik Marklund
[gmx-users] How To Adjust the Ionizataion State Erik Marklund
[gmx-users] Re: gromacs and pH description! Jay Mashl
[gmx-users] pdbgmx warning long bond Gregoire Masliah
[gmx-users] How to implement dihedral restraints David Mobley
[gmx-users] How to implement dihedral restraints David Mobley
[gmx-users] Re: gromacs and pH description! David Mobley
[gmx-users] free energy calculation David Mobley
[gmx-users] lambda dependence of nonbonded parameters David Mobley
[gmx-users] energy components zero in double precision? David Mobley
[gmx-users] units of force constants in posre.itp file David Mobley
[gmx-users] dispersion correction and heterogeneous systems David Mobley
[gmx-users] glutathionylation and SS bonds formation in GMX Luca Mollica
[gmx-users] radial pmf Manohar Murthi
[gmx-users] problem regarding pbc N.Goga
[gmx-users] gromacs 4 release date? Chris Neale
[gmx-users] the box margin plot in VMD Chris Neale
[gmx-users] micelle center of mass rdf to water Chris Neale
[gmx-users] micelle center of mass rdf to water Chris Neale
[gmx-users] PBC in g_gyrate Chris Neale
[gmx-users] PBC in g_gyrate Chris Neale
[gmx-users] g_rdf Chris Neale
[gmx-users] desorting Chris Neale
[gmx-users] desorting Chris Neale
[gmx-users] How to implement dihedral restraints Chris Neale
[gmx-users] radial pmf Chris Neale
[gmx-users] desort Chris Neale
[gmx-users] dispersion correction and heterogeneous systems Chris Neale
[gmx-users] box size for simulation of membrane protein Mohamed Osman
[gmx-users] x2top, missing ffG43a1.n2t Luke Pestl
[gmx-users] protein goes out from the waterbox during MD Eugenia Polverini
[gmx-users] Re: the box margin plot in VMD Jennifer Rendell
[gmx-users] line input of dimensions for box margin plot VMD Jennifer Rendell
[gmx-users] I need to string together a bunch of g_rms's Arthur Roberts
[gmx-users] Essential Dynamics Sampling (EDS) MD Lars Schaefer
[gmx-users] Essential Dynamics Sampling (EDS) MD Lars Schaefer
[gmx-users] Lars Schaefer
[gmx-users] explicit hydrogen-bond Lars Schaefer
[gmx-users] explicit hydrogen-bond Lars Schaefer
[gmx-users] REMD demuxing Nikos Sgourakis
[gmx-users] k-means clustering in GROMACS Nikos Sgourakis
[gmx-users] problem with g_energy tool David van der Spoel
[gmx-users] Error when adding a unnatural amio acid David van der Spoel
[gmx-users] question about dihedral angle in *.itp file David van der Spoel
[gmx-users] atom types in share/gromacs/top/edissoc.dat David van der Spoel
[gmx-users] g_rotacf David van der Spoel
[gmx-users] Are the constraint forces included in the forcesoutputed in the David van der Spoel
[gmx-users] problem regarding xmgr David van der Spoel
[gmx-users] problem with genion David van der Spoel
[gmx-users] gromacs 4 release date? David van der Spoel
[gmx-users] How can I generate a FCC unit cell? David van der Spoel
[gmx-users] REMD demuxing David van der Spoel
[gmx-users] k-means clustering in GROMACS David van der Spoel
[gmx-users] The meaning of rlist and rcoulomb for coulombtype=reaction-field David van der Spoel
[gmx-users] negative diffusion constant by g_msd -mol option David van der Spoel
[gmx-users] compressibility value for SPC water David van der Spoel
回复： Re: [gmx-users] PMF calculation David van der Spoel
[gmx-users] RAM MEMORY USAGE FOR g_cluster/g_rms David van der Spoel
[gmx-users] RAM MEMORY USAGE FOR g_cluster/g_rms David van der Spoel
[gmx-users] Has the forces for virtual sites in the trr file been reditributed? David van der Spoel
[gmx-users] center of mass motion in lipid bilayer David van der Spoel
[gmx-users] coil-globule David van der Spoel
[gmx-users] How to check whether GROMACS was installed correctly? David van der Spoel
[gmx-users] Replica Exchange Analysis Tools David van der Spoel
[gmx-users] Where is my bin? David van der Spoel
[gmx-users] center of mass motion David van der Spoel
[gmx-users] inconsistent XTC/Magic number error in g_density David van der Spoel
[gmx-users] [Beginner] How can I generate .gro and .top? David van der Spoel
[gmx-users] how to calculate internal energy for energygroups? David van der Spoel
[gmx-users] Signal:11 info.si_errno:0(Success) si_code:1(SEGV_MAPERR) David van der Spoel
[gmx-users] how to calculate internal energy for energygroups? David van der Spoel
[gmx-users] how to calculate internal energy for energygroups? David van der Spoel
[gmx-users] Info on g_sas DGsolv David van der Spoel
[gmx-users] compile Gromacs 3.2.1: line 0: unexpected EOF while looking for matching `"' David van der Spoel
[gmx-users] generation of a box of water David van der Spoel
[gmx-users] g_gyrate David van der Spoel
[gmx-users] remd and nmr David van der Spoel
[gmx-users] Re: gmx-users Digest, Vol 33, Issue 69 David van der Spoel
[gmx-users] I need to string together a bunch of g_rms's David van der Spoel
[gmx-users] Re: gmx-users Digest, Vol 33, Issue 70 David van der Spoel
[gmx-users] SS bond David van der Spoel
[gmx-users] Re: gromacs and pH description! David van der Spoel
[gmx-users] eneconv error David van der Spoel
[gmx-users] energy components zero in double precision? David van der Spoel
[gmx-users] dispersion correction and heterogeneous systems David van der Spoel
[gmx-users] Free Radicals David van der Spoel
[gmx-users] Centering using trjconv Mitchell J Stanton-Cook
[gmx-users] How to implement dihedral restraints Ryogo Sugitani
[gmx-users] How to implement dihedral restraints Ryogo Sugitani
[gmx-users] Error in Energy Minimization Sunny
[gmx-users] Error in Energy Minimization Sunny
[gmx-users] Error in Energy Minimization Sunny
[gmx-users] Water molecule can not be settled Sunny
[gmx-users] LINCS error during mdrun Stéphane Téletchéa
[gmx-users] pdbgmx warning long bond Stéphane Téletchéa
[gmx-users] Long range energies Richard Vadnais
[gmx-users] Re: long range energy Richard Vadnais
[gmx-users] long range energy Richard Vadnais
[gmx-users] REMD demuxing Andrea C. Vaiana
[gmx-users] REMD demuxing Andrea C. Vaiana
[gmx-users] 2 questions: pdb2gmx and genbox WILLIAM R WELCH
[gmx-users] broken links in online tutorial files WILLIAM R WELCH
[gmx-users] Are the constraint forces included in the forces outputed in the trr file? Dallas B. Warren
[gmx-users] the box margin plot in VMD Dallas B. Warren
[gmx-users] 3D-distribution Dallas B. Warren
[gmx-users] protein goes out from the waterbox during MD Dallas B. Warren
[gmx-users] mdrun error during pr Tsjerk Wassenaar
[gmx-users] Some questions about genbox and EM Tsjerk Wassenaar
[gmx-users] Re: Some questions about genbox and EM (Tsjerk Wassenaar) Tsjerk Wassenaar
[gmx-users] question about dihedral angle in *.itp file Tsjerk Wassenaar
[gmx-users] Error when adding a unnatural amio acid Tsjerk Wassenaar
[gmx-users] tau_p Tsjerk Wassenaar
[gmx-users] Error during mdrun Tsjerk Wassenaar
[gmx-users] Eessential dynamics analysis Tsjerk Wassenaar
[gmx-users] 2 questions: pdb2gmx and genbox Tsjerk Wassenaar
[gmx-users] micelle center of mass rdf to water Tsjerk Wassenaar
[gmx-users] glutathionylation and SS bonds formation in GMX Tsjerk Wassenaar
[gmx-users] infinitive force acting on atom during minimization Tsjerk Wassenaar
[gmx-users] infinitive force acting on atom during Tsjerk Wassenaar
[gmx-users] How to check whether GROMACS was installed correctly? Tsjerk Wassenaar
[gmx-users] Error in Energy Minimization Tsjerk Wassenaar
[gmx-users] Why GROMACS demo fails? Tsjerk Wassenaar
[gmx-users] Error in Energy Minimization Tsjerk Wassenaar
[gmx-users] Water molecule can not be settled Tsjerk Wassenaar
[gmx-users] PBC in g_gyrate Tsjerk Wassenaar
[gmx-users] pdb2gmx and his-heme group Tsjerk Wassenaar
[gmx-users] Tsjerk Wassenaar
[gmx-users] 3D-distribution Tsjerk Wassenaar
[gmx-users] [Beginner] How can I generate .gro and .top? Tsjerk Wassenaar
[gmx-users] MPIRUN error while running position restrained MD Tsjerk Wassenaar
[gmx-users] problem regarding pbc Tsjerk Wassenaar
[gmx-users] problem regarding dssp Tsjerk Wassenaar
[gmx-users] MD Error after adding a unnatural amio acid Tsjerk Wassenaar
[gmx-users] pdbgmx warning long bond Tsjerk Wassenaar
[gmx-users] LINCS error during mdrun Tsjerk Wassenaar
[gmx-users] MPIRUN error while running position restrained MD Tsjerk Wassenaar
[gmx-users] MD Error after adding a unnatural amio acid Tsjerk Wassenaar
[gmx-users] pdbgmx warning long bond Tsjerk Wassenaar
[gmx-users] problem regarding dssp Tsjerk Wassenaar
[gmx-users] pdbgmx warning long bond Tsjerk Wassenaar
[gmx-users] explicit hydrogen-bond Tsjerk Wassenaar
[gmx-users] center of mass motion Cherry Y. Yates
[gmx-users] mdrun error during pr Yang Ye
[gmx-users] Error when adding a unnatural amio acid Yang Ye
[gmx-users] Can I use more memory to speed up computa tion? Yang Ye
[gmx-users] Error when adding a unnatural amio acid Yang Ye
[gmx-users] Error when adding a unnatural amio acid Yang Ye
[gmx-users] Error when adding a unnatural amio acid Yang Ye
[gmx-users] Error when adding a unnatural amio acid Yang Ye
[gmx-users] [Beginner] How can I generate .gro and .top? Yang Ye
[gmx-users] Keeping replica numbers consistent when restarting a replica exchange simulation Yang Ye
[gmx-users] MPIRUN error while running position restrained MD Ragothaman Yennamalli
[gmx-users] MPIRUN error while running position restrained MD Ragothaman Yennamalli
[gmx-users] MPIRUN error while running position restrained MD Ragothaman Yennamalli
[gmx-users] MPIRUN error while running position restrained MD Ragothaman Yennamalli
[gmx-users] MPIRUN error while running position restrained MD Ragothaman Yennamalli
[gmx-users] MPIRUN error while running position restrained MD Ragothaman Yennamalli
[gmx-users] g_chi X Zheng
[gmx-users] Some questions about genbox and EM Hu Zhongqiao
[gmx-users] Re: Some questions about genbox and EM (Tsjerk Wassenaar) Hu Zhongqiao
[gmx-users] Can I run BD in water media using Gmx? Hu Zhongqiao
[gmx-users] Re: Can I run BD in water media using Gmx? (Hu Zhongqiao) Hu Zhongqiao
[gmx-users] Re: Can I run BD in water media using Gmx?(H.J.Risselada) Hu Zhongqiao
[gmx-users] Quantical Atoms asg2000
[gmx-users] Ions Parameters asg2000
[gmx-users] pdb for a structure with more then 300 atoms nur avneet
[gmx-users] Placing the molecule in the centre of the box nur avneet
[gmx-users] How To Adjust the Ionizataion State nur avneet
[gmx-users] tau_p chetana baliga
[gmx-users] PMF calculation chetana baliga
[gmx-users] Re : tau_p chetana baliga
[gmx-users] Error during mdrun chetana baliga
[gmx-users] Error during mdrun chetana baliga
[gmx-users] compressibility value for SPC water chetana baliga
[gmx-users] eneconv error chetana baliga
[gmx-users] disallowed residue calculation anwar at cdfd.org.in
[gmx-users] RAM MEMORY USAGE FOR g_cluster/g_rms sridhar at cdfd.org.in
[gmx-users] RAM MEMORY USAGE FOR g_cluster/g_rms sridhar at cdfd.org.in
[gmx-users] g_rdf & more than 8 graph edges chiradip chatterjee
[gmx-users] g_rdf & more than 8 graph edges chiradip chatterjee
[gmx-users] Eessential dynamics analysis sunita at chem.iitb.ac.in
[gmx-users] atom types in share/gromacs/top/edissoc.dat egorov
[gmx-users] Where is my bin? Robert fiske
[gmx-users] Where is my bin? Robert fiske
[gmx-users] ci value correafe at iq.usp.br
[gmx-users] SS bond correafe at iq.usp.br
[gmx-users] negative diffusion constant by g_msd -mol option m-hatake at jaist.ac.jp
[gmx-users] Re: gmx-users Digest, Vol 33, Issue 69 ravi kant
[gmx-users] question about dihedral angle in *.itp file linfu
[gmx-users] Re: question about dihedral angle in *.itp file linfu
[gmx-users] Error when adding a unnatural amio acid yuemin liu
[gmx-users] Error when adding a unnatural amio acid yuemin liu
[gmx-users] Error when adding a unnatural amio acid yuemin liu
[gmx-users] Error when adding a unnatural amio acid yuemin liu
[gmx-users] Error when adding a unnatural amio acid yuemin liu
[gmx-users] Error when adding a unnatural amio acid yuemin liu
[gmx-users] Error when adding a unnatural amio acid yuemin liu
[gmx-users] MD Error after adding a unnatural amio acid yuemin liu
[gmx-users] MD Error after adding a unnatural amio acid yuemin liu
[gmx-users] pdbgmx warning long bond maite lopez
[gmx-users] pdbgmx warning long bond maite lopez
[gmx-users] pdbgmx warning long bond maite lopez
[gmx-users] Interaction energy calculation in a radius aloks at mbu.iisc.ernet.in
[gmx-users] dihedral Lars.Schaefer at mpi-bpc.mpg.de
[gmx-users] Error while compilation of Gromacs3.3.1.....in SGI Octane raja
[gmx-users] problem regarding xmgr sangeeta
[gmx-users] problem regarding dssp sangeeta
[gmx-users] N/A sangeeta
[gmx-users] N/A sangeeta
[gmx-users] problem regarding pbc sangeeta
[gmx-users] problem regarding pbc sangeeta
[gmx-users] problem regarding dssp sangeeta
[gmx-users] problem regarding dssp sangeeta
[gmx-users] problem regarding dssp sangeeta
[gmx-users] problem regarding dssp sangeeta
[gmx-users] problem regarding dssp sangeeta
[gmx-users] problem regarding dssp sangeeta
[gmx-users] problem regarding dssp sangeeta
[gmx-users] problem regarding dssp sangeeta
[gmx-users] problem regarding dssp sangeeta
[gmx-users] query about protein contact map and salt concentration sangeeta
[gmx-users] N/A sangeeta
[gmx-users] N/A sangeeta
[gmx-users] g_energy and g_enemat Elias santos
[gmx-users] g_energy and/or g_enemat Elias santos
[gmx-users] (no subject) sharada
[gmx-users] Difference in the Forcefields and speed... sharada
[gmx-users] Installation of Gromacs and speed... sharada
[gmx-users] Installation of Gromacs and speed... sharada
[gmx-users] error while compilation of Gromacs 3.3.1..... sharada
[gmx-users] error while compilation of Gromacs 3.3.1..... sharada
[gmx-users] error while compilation of Gromacs 3.3.1..... sharada
Fw: Re: Re: [gmx-users] error while compilation of Gromacs3.3.1..... sharada
[gmx-users] error while compilation of Gromacs 3.3.1..... sharada
[gmx-users] Error while compilation of Gromacs3.3.1.....in SGI Octane sharada
[gmx-users] Error while compilation of Gromacs 3.3.1..... sharada
[gmx-users] Error while compilation of Gromacs 3.3.1..... sharada
[gmx-users] PBC in g_gyrate singh
[gmx-users] remd and nmr andrea spitaleri
[gmx-users] problem running posre andrea spitaleri
[gmx-users] explicit hydrogen-bond andrea spitaleri
[gmx-users] explicit hydrogen-bond andrea spitaleri
[gmx-users] eneconv error chris.neale at utoronto.ca
[gmx-users] Segmentation error (core dump) Shichen wang
[gmx-users] Segmentation error (core dump) Shichen wang
[gmx-users] the box margin plot in VMD wurl
[gmx-users] energy mahbubeh zarrabi
[gmx-users] g_energy mahbubeh zarrabi
[gmx-users] g_energy mahbubeh zarrabi
回复： Re: [gmx-users] PMF calculation xi zhao
[gmx-users] Error in .top file for grompp 한상화
[gmx-users] Error in .top when running grompp for final product MD 한상화
[gmx-users] Disulfide between protein Cys and GSH 한상화
[gmx-users] Disulfide between protein Cys and GSH 한상화
[gmx-users] Disulfide between protein Cys and GSH 한상화
[gmx-users] Disulfide between protein Cys and GSH 한상화
[gmx-users] LINCS error during mdrun 한상화

Last message date: Wed Jan 31 19:43:27 CET 2007
Archived on: Thu Nov 14 12:03:24 CET 2013

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