Hi,
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
DELPHI ?
Any help and suggestions are appreciated.
Thanks
Johannes Zuegg
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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
EMail: Johannes.Zuegg_at_anu.edu.au
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Received on Thu Jul 20 2000 - 18:50:14 PDT
