AMBER Archive (1999)

Subject: Re: Addtional impropers? (fwd)

From: Ding Sun (ds537_at_SCIRES.ACF.NYU.EDU)
Date: Tue Jul 13 1999 - 14:30:09 CDT

---------- 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://www.amber.ucsf.edu/amber/ff94/types94.html for
the most intelligible description of Cornell et al. atom
types.

Bill Ross