Re: Addtional impropers? (fwd)

From: Ding Sun <ds537_at_SCIRES.ACF.NYU.EDU>
Date: Tue 13 Jul 1999 15:30:09 -0400

---------- Forwarded message ----------
Date: Mon, 12 Jul 1999 16:43:06 -0700 (PDT)
From: ross_at_cgl.ucsf.EDU
To: ds537
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 file?
See for
the most intelligible description of Cornell et al. atom

Bill Ross
Received on Tue Jul 13 1999 - 12:30:09 PDT
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