[gmx-users] Group virial

[Pedro Alexandre Lapido Loureiro]

Dear gmx users,

I want to calculate the virial of a group of atoms.
One way would be to rerun the trajectory using a input .tpr and .xtc file that
contains only the group of interest, SOL for instance.
I have used tpbconv to create a SOL.tpr and trjconv to create a SOL.xtc.
The problem is that mdrun -rerun crashes with segmentation fault.
Does anybody know why?

Regards,

Pedro.

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Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil