AMBER Archive (2002)

Subject: Re: a question about .in files

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• Maybe in reply to: Vlad Cojocaru: "a question about .in files"
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The .in format is described in

  http://www.amber.ucsf.edu/amber/doc/prep.txt

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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• Next message: Bill Ross: "Re: leap calculation (loadamberprep)"
• Previous message: Itziar Maestre Asenjo: "leap calculation"
• Maybe in reply to: Vlad Cojocaru: "a question about .in files"
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