MM-PB/SA with MSI-Delphi

From: Johannes Zuegg <>
Date: Fri 21 Jul 2000 11:50:14 +1000


I was trying to use the <mm_pbsa> script in Amber6 to calculate an estimate
of the free energies, but unfortunately I only have the MSI version of
DELPHI (ver 3.00), which seems to have different input scripts and outputs.
At least the provided script does not work with the MSI-DELPHI version.

Does somebody have a <mm_pbsa> script which works with the MSI version of

Any help and suggestions are appreciated.
Johannes Zuegg

Research Fellow
John Curtin School of Medical Research
Australian National University
Dept. Biochemistry and Molecular Biology
PO Box 334
Canberra, ACT 2601, Australia

Tel: +61 2 6279 8301
Fax: +61 2 6249 0415

Received on Thu Jul 20 2000 - 18:50:14 PDT
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