Re: a question about .in files

From: Bill Ross <>
Date: Wed 6 Mar 2002 11:16:53 -0800 (PST)

The .in format is described in

However, it is generally easier to build new residues
in leap by loading a pdb or drawing it graphically -
see the tutorials.

Also, leap has the 'saveamberprep' command to save any
residue in the .in format; this could be used to save
an existing residue to be modified in a text editor if
desired (and reloaded via loadamberprep).

Bill Ross

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Received on Wed Mar 06 2002 - 11:16:53 PST
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