Hi, I'm running AMBER 12 and trying to use MMPBSA.py to run some PB
calculations but ran into an error ("CalcError:
/home/software/amber12/bin/mmpbsa_py_energy failed with prmtop
complex.parm7".
I next ran "mmpbsa_py_energy -i _MMPBSA_pb.mdin -p complex.parm7 -c
_MMPBSA_complex.pdb -y _MMPBSA_complex.mdcrd.0 -o output" and got this
error "timer: need to reset the time before start".
I haven't seen this problem in the Amber list, so am unsure how to fix it.
Can someone help, please? Thanks!
Adelene
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Received on Sun Nov 04 2012 - 19:00:02 PST
