[gmx-users] (no subject)

Hi, Thanks for your suggestion; I am attaching the vac plot for short time interval ; Please let me know whether its correct or not. regards. <>-- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.

[gmx-users] Fw: VACF

From: prem...@iiserpune.ac.in To: gmx-users@gromacs.org Date: Mon, 26 Sep 2011 17:27:48 +0530 (GMT+05:30)

[gmx-users] VACF

Hello users, I am trying to calculate VACF of cation and anion of [hmim][tf2n] ionic liquid. I am getting some wierd plot which is decaying along the axis. The jpg of this plot has been attached.Please can someone assist me interpret this plot ; I know its simple but am stucke

[gmx-users] viscosity

Sir, I am dealing with MD simulation of ionic-liquids.I want to calculate viscosity of this system.I am trying to do it by using Green-Kubo relation for the transport properties; it is time integral of pressure correlation function but I am stuck with how to get the pressure correlation funct

[gmx-users] Fw: properdihedrals

-- Original Message -- From: prem...@iiserpune.ac.in To: gmxus...@gromacs.org

[gmx-users] viscosity

Sir, I request you to discuss the way to find out some properties like viscosity, heat of vaporisation , spatial heterogeneity using Gromacs-4.5.3 from the obtained production run trajectories data for any liquid(I am dealing with Ionic liquids) .The Gromacs utility has option for sur

[gmx-users] Fw: Re: Re: ionic liquids

ginal Message -- From: Vitaly Chaban To: Prema

[gmx-users] Fw: Fw: ionic liquids

-- Original Message -- From: prem...@iiserpune.ac.in To: gmx-users@gromacs.org

[gmx-users] Fw: ionic liquids

-- Original Message -- From: prem...@iiserpune.ac.in To: vvcha...@gmail.com Da

[gmx-users] Fw: ionic liquids

-- Original Message -- From: prem...@iiserpune.ac.in To: gmx-users@gromacs.org

[gmx-users] ionic liquids

Sir, I am trying to create an ionic-liquid system comprising of 1-butyl-3-methyl-imidazolium(bmim) as cation and BF4-(bf4) as anion. I have generated the system using following command: genbox_d -cp bmim.gro -ci bf4.gro -nmol 125 -try 200 -o

[gmx-users] gromacs

Sir, I have copied database directories in my home directory by editing .bashrc file ,still while using gromacs utilities its reading the database of root .Is there any other changes i.e; if I have to give the path elsewhere so that it should read the home copied database.