[gmx-users] g_hbond for trajectory without having box information
bipinelmat at gmail.com
Fri Jul 19 06:26:00 CEST 2013
I was using g_hbond to calculate H-bonds for a trajectory made from several
individual snapshots from MD simulation, but because this trajectory does
not have the coordinates/information for simulation box, g_hbond is giving
the following error:
Your computational box has shrunk too much.
g_hbond_mpi can not handle this situation, sorry.
Please let me know, if there is any way to rectify this error.
Thanks and Regards,
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