Re[2]: [gmx-users] output format of gromacs utilities

Jochen, Thank you very much! I will just try it. Vitaly JH> Vitaly Chaban wrote: >> Hello, >> >> In gromacs analysis tools, is it possible to output multiple data >> columns as several 'parallel' columns (not as pairs delimited by '&')? JH> I don't think so, but i once wrote a script that doe

RE: [gmx-users] output format of gromacs utilities

Hi, For many tools setting the environment variable GMX_VIEW_XVG = xmgr will work. Berk > Date: Mon, 22 Sep 2008 11:05:58 +0200 > From: [EMAIL PROTECTED] > To: [EMAIL PROTECTED]; gmx-users@gromacs.org > Subject: Re: [gmx-users] output format of gromacs utilities > CC: > >

Re: [gmx-users] output format of gromacs utilities

Vitaly Chaban wrote: > Hello, > > In gromacs analysis tools, is it possible to output multiple data > columns as several 'parallel' columns (not as pairs delimited by '&')? I don't think so, but i once wrote a script that does the transformation for you. Here it is. Best, Jochen #!/bin/bash t

[gmx-users] output format of gromacs utilities

Hello, In gromacs analysis tools, is it possible to output multiple data columns as several 'parallel' columns (not as pairs delimited by '&')? I experience difficulties to read such (xvg) format by sigmaplot. -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq.,4