Hi everyone,
I want to calculate GB and PB energies, but this error appears:
CalcError: /opt/amber12/bin/sander failed with prmtop smp-198ptn-dry.prmtop!
This is mmpbsa.in:
Input file for running PB and GB
&general
endframe=500, keep_files=2,
use_sander=1, netcdf = 1
/
&gb
igb=2, saltcon=0.100,
/
&pb
istrng=0.100,
/
any idea?
Thanks in advance!
Myriam
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Received on Mon May 11 2020 - 03:30:03 PDT
