Hello,
In the MMPBSA.PY in protein- ligand complex how can I get the
*1err.solvated.prmtop
that *file i had done the prod steps as shown in the manual but i got
stucked over this step
$AMBERHOME/bin/MMPBSA.py -O -i mmpbsa.in -o FINAL_RESULTS_MMPBSA.dat -sp
1err.solvated.prmtop -cp complex.prmtop -rp receptor.prmtop -lp
ligand.prmtop -y *.mdcrd
Can anyone explain me in detail about this step and how to get those files
Regards,
Vani
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Received on Fri Apr 08 2011 - 10:30:08 PDT
