gromacs 2019.1 and g_mmpbsa.py

316 views
Skip to first unread message

xabier arias

unread,
Aug 14, 2019, 10:30:07 AM8/14/19
to g_mmpbsa Mailing List

Is it possible to run the calculations using a trajectory from the gromacs 2019.1 package?

William Martin

unread,
Sep 25, 2019, 9:51:23 PM9/25/19
to g_mmpbsa Mailing List
The trajectory will work, but the .tpr file will have to be recreated using an earlier version of gromacs.
Reply all
Reply to author
Forward
0 new messages