Hi all,
Has anyone did try running mmpbsa.py with input file of two different parts of receptor (numbering not consecutive) and also one ligand part ? In previous use of mmpbsa.pl the treatment of numbering is by specifying two parts of RSTOP, RSTART. Like this way:
LSTART
LSTOP
RSTART
RSTOP
RSTART
RSTOP
Could anyone help on this with mmpbsa.py?
Amor
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Received on Tue Jul 13 2010 - 23:00:03 PDT
