[gmx-users] How to generate xvg files

[Jack Shultz]

Actually I guess I need to generate the xtc first before I can get the xvg

I am trying to develop a workflow for this
mdrun
g dist calculates the distances between the centers of mass of two groups
g bond calculates distances between atoms
g msd calculates mean square displacements
g rms calculates rmsd’s with a reference structure and rmsd matrices
g rmsf calculates atomic fluctuations
g energy writes energies to xvg files and displays averages

On Tue, Nov 10, 2009 at 9:24 PM, Amit Choubey <kgp.amit at gmail.com> wrote:
>
>
> On Tue, Nov 10, 2009 at 6:11 PM, Jack Shultz <js at drugdiscoveryathome.com>
> wrote:
>>
>> Hi I am trying to generate xvg files for my simulation. Which
>> parameter do I need to specify?
>
> xvg files for what? They are used for data files for 2D plots of quantities
> that can be analyzed...
> Can you be more specific?
> amit
>>
>> --
>> Jack
>>
>> http://drugdiscoveryathome.com
>> http://hydrogenathome.org
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-- 
Jack

http://drugdiscoveryathome.com
http://hydrogenathome.org