Hi IMA,
Have you checked the g_sdf help? It provides information about the
purpose of the four groups, and how they should be related. What
you're trying to do here is nonsensical. Do you know what you want to
do (physicochemically)?
Cheers,
Tsjerk
On Wed, Oct 21, 2009 at 11:15 AM, naimah haron
Dear Mark
Thanks for your suggestions.
1) Regarding to the g_sdf, the problem is I have 3 groups ( system, cation,
anion) in my index file.
But, before using g_sdf, I should have 4 groups. So, how about the last
group?
2) When I used g_sdf command ( g_sdf -s topol.tpr -f trj.trr -n inde
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