[gmx-users] Usage of g_spatial

Dr. Vitaly Chaban vvchaban at gmail.com
Tue May 7 11:18:41 CEST 2013

I think you can process the trajectories without generating TPR.

Dr. Vitaly Chaban

On Tue, May 7, 2013 at 12:12 PM, Venkat Reddy <venkat4bt at gmail.com> wrote:

> Dear gromacs users,
> I am analyzing trajectories of an ionic liquid system generated using AMBER
> MD package. The force field parameters are typical of this IL system and
> not from the existing libraries. Hence, it is difficult for me to generate
> a tpr file. I understand that running the g_spatial command needs
> pre-processing of the coordinates (Steps 1 and 2 in g_spatial help) but I
> need tpr file for that. So there is  no way of doing g_spatial without a
> tpr file is it? Then how do I generate tpr file for my system?
> Thanks for all the help
> --
> With Best Wishes
> Venkat Reddy Chirasani
> PhD student
> Laboratory of Computational Biophysics
> Department of Biotechnology
> IIT Madras
> Chennai
> INDIA-600036
> --
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