AMBER Archive (2000)
Subject: intprt on gibbs
From: Marcela Madrid (mmadrid_at_psc.edu)
Date: Tue Dec 05 2000 - 15:19:52 CST
Are there any references for the option
INTPRT in gibbs?
It is not very clear to me what it does.
For example INTPRT=0 the
manual says "no intra-perturbed group energies are
How are the groups defined? Does this mean the energies of the
perturbed groups among themselves, or with all the system?