AMBER Archive (2002)

Subject: Xleap

From: x357l (x357l_at_unb.ca)
Date: Tue Feb 19 2002 - 10:03:11 CST

In Xleap, the entries under xleap Unit Editor columns NAME and TYPE represent
atoms of a molecule of state 1 (lambda=1), while the entries in columbs
pert.NAME and pert.TYPE represent the atoms within a molecule of state 0
(lambda=0)(for doing free energy calculations). Is this correct or is it the
other way around? I have read the manual and the FAQ on the webpage, but I am
still not sure.

Thanks for any help