Re: help for restrained minimization

From: Bill Ross <>
Date: Mon 29 Oct 2001 01:32:16 -0800 (PST)

        Did you use xleap to make ryou parm file ?
        In that case, you cannot use M for bacbone definition as xleap doesn't
        create this parameter (see in your parm if you have somewhere bla bla

The more recent versions of leap add the chain types. The
current version can be downloaded from the amber web.

Bill Ross
Received on Mon Oct 29 2001 - 01:32:16 PST
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