AMBER Archive (2000)

Subject: GB parameters

From: Craig Marhefka (cmarhefka_at_utmem.edu)
Date: Sun Jun 11 2000 - 17:59:18 CDT

I have two questions:

1) In the test cases for amber6 the flag IMCEW appears in the &cmcmd
namelist but does not appear in the manual. Is this an oversight in the
manual or a flag that is primarily used by developers?

2) I have some small molecules with F and Br and it seems that the GB radii
and screening parameters don't exist. Does anyone have these or know where I
can find them? If not where should I start if I want to develop these
myself.

Thanks very Much

Craig

Craig A. Marhefka
Department of Pharmaceutical Sciences
University of Tennessee
847 Monroe Ave. Suite 327
Memphis, TN 38163
e-mail: cmarhefka_at_utmem.edu
Lab: (901)448-7814
Office: (901)448-7530
Fax: (901)448-6828
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