Re: AMBER: Creating an input file for GRASP using AMBER 8

From: Bill Ross <>
Date: Mon, 7 Feb 2005 11:40:33 -0800 (PST)

> I have a .pdb file of a protein which has approximately 1000 residues in
> it. I want to create an input file for GRASP which has the charge info in
> it, and was wondering if I can create such an input file using AMBER 8.

You can get the charges into a savepdb pdb file in leap -
try 'help set' to see what parameter to set before doing
the savepdb.

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Received on Mon Feb 07 2005 - 19:53:00 PST
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