[gmx-users] g_anaeig

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Dec 10 11:37:32 CET 2010


Hi Pawan,

No, there are scores and times, no energies.

Cheers,

Tsjerk

On Fri, Dec 10, 2010 at 6:39 AM, pawan raghav <pwnrghv at gmail.com> wrote:
> Dear justin,
> Thanks for your useful suggestions but not the right way to post these
> things. Anyway Dear I have already read the link mentioned by you and know
> very well what does -extr do actually I want to extract some minimum energy
> structure for docking studies from 12500 ps to 15000 ps MD trajectory out of
> total 15 ns MD run. For this, I have extract structures along 50
> eigenvectors structures. Therefore, I want to confirm the values in second
> column whether they are energy values or not.
> --
> Pawan
>
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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands



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