RE: [gmx-users] rdf problem

2010-03-10 Thread Dallas B. Warren
@gromacs.org Subject: [gmx-users] rdf problem Dear all, I am simulating a binary system of two non mixing components (5CB and water using version 4-0-3; the whole equilibrated trajectory is about 300ns). I want to calculate the rdf of the centers of mass of 5CB using the command g_rdf -f traj300.xtc

[gmx-users] rdf problem

2010-03-10 Thread Antonia V .
Dear all, I am simulating a binary system of two non mixing components (5CB and water using version 4-0-3; the whole equilibrated trajectory is about 300ns). I want to calculate the rdf of the centers of mass of 5CB using the command g_rdf -f traj300.xtc -rdf mol_com -o rdf_com_300.xvg -no

RE: [gmx-users] rdf problem

2010-03-09 Thread Antonia V .
> Date: Tue, 9 Mar 2010 10:39:01 +0100 > From: er...@xray.bmc.uu.se > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] rdf problem > > Antonia V. skrev: > > Dear all, > > > > I am simulating a binary system of two non mixing components (5CB and >

Re: [gmx-users] rdf problem

2010-03-09 Thread Erik Marklund
Antonia V. skrev: Dear all, I am simulating a binary system of two non mixing components (5CB and water using version 4-0-3; the whole equilibrated trajectory is about 300ns). I want to calculate the rdf of the centers of mass of 5CB using the command g_rdf -f traj300.xtc -rdf mol_com -o rdf

[gmx-users] rdf problem

2010-03-09 Thread Antonia V .
Dear all, I am simulating a binary system of two non mixing components (5CB and water using version 4-0-3; the whole equilibrated trajectory is about 300ns). I want to calculate the rdf of the centers of mass of 5CB using the command g_rdf -f traj300.xtc -rdf mol_com -o rdf_com_300.xvg -noxvg