AMBER Archive (2008)

Subject: AMBER: # of ligands and receptors in mmpbsa

From: Christopher Gaughan (clgaughan68_at_gmail.com)
Date: Fri Jul 25 2008 - 09:57:03 CDT

In the input file for generating snapshots from a single directory, there is
a part where you can specify which atoms are part of the receptor and those
that are part of the ligand as in:

NUMBER_LIG_GROUPS 1
LSTART 4081
LSTOP 4684
NUMBER_REC_GROUPS 1
RSTART 1
RSTOP 4080
RSTART 0
RSTOP 0

Here- one can add another receptor group. Can I also add another ligand
group as well- ie. can I have two receptors and twp ligands? Is there some
limitation in the code that does not allow for this?

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