---------- Forwarded message ----------
Date: Mon, 12 Jul 1999 16:43:06 -0700 (PDT)
From: ross_at_cgl.ucsf.EDU
To: ds537
Cc: amber_at_cgl.ucsf.edu
Subject: Re: Addtional impropers?
Addtional impropers were generated automatically by LEap itself,
generated topology and coordinate files from prep file made by hand.
However, the additional impropers are not desired. Can I avoid
these addtional impropers while using xLEap?
What force field were you using? Are you _sure_ that you
chose the atom types correctly in your prep.in file?
See
http://amber.ch.ic.ac.uk/ff94/types94.html for
the most intelligible description of Cornell et al. atom
types.
Bill Ross
Received on Tue Jul 13 1999 - 12:30:09 PDT
