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

From: FyD <>
Date: Mon, 7 Feb 2005 20:52:42 +0100

> 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.
to convert pdb files without charge into pdb files with charges
to compute your electrostatic potential
to compute your solvent excluded surface
to put all together.

All this is free & works under linux...

  F.-Y. Dupradeau
DMAG EA 3901 & Faculte de Pharmacie, Amiens, France
The Scripps Research Institute, La Jolla, CA, USA
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Received on Mon Feb 07 2005 - 20:53:00 PST
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