[gmx-users] Usage of g_spatial

Venkat Reddy venkat4bt at gmail.com
Tue May 7 11:12:14 CEST 2013

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

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