Re: MM-PBSA tutorial

From: Holger Gohlke <>
Date: Thu 10 Oct 2002 11:57:41 -0700

Hi Giulio,

> I run the 02_MMPBSA_Stability tutorial of MM_PBSA in the amber7
> distribution,
> using Delphi 4.1
> I found, on average, that the corrected reaction field energy is 10Kt
> lower
> than what reported in the file.
> Did anybody else noticed a difference? Has the tutorial been run with a
> different
> version of Delphi?...

I used the Delphi version as of May 98 ("Delphi II") to calculate the
values in the example directory.

Best regards


Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037  USA
phone: +1-858-784-9788
fax:   +1-858-784-8896
Received on Thu Oct 10 2002 - 11:57:41 PDT
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