Dear AMBER helplist,
I have been trying to use MMPBSA and I keep getting this error:
CalcError: /global/software/amber/amber13/bin/mmpbsa_py_energy failed with
prmto
p ../leapdir/complex.top!
PB Bomb in pb_aaradi(): No radius assigned for atom 7 CB C8
I know that there has been discussion on similar problems in the past, but
it was hard for me to understand for mreading these what the best fix is
for this problem.
I used the ff12SB force field to create my topology files.
Thanks,
Holly
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Received on Tue May 27 2014 - 11:30:02 PDT
