Dear Amber users,
Will it going to effect the MMPBSA.py calculation if I do not have solvated
trajectories? ie., not feeding the command 'MMPBSA.py -sp' with a solvated
topology. I would like to remove water and ions from the trajectories (
while combining many trajectories) before feeding it to MMPBAS.py.
Many thanks in advance
Anu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Aug 16 2015 - 07:00:03 PDT
