GB parameters

From: Craig Marhefka <>
Date: Sun 11 Jun 2000 17:59:18 -0500

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

Thanks very Much


Craig A. Marhefka
Department of Pharmaceutical Sciences
University of Tennessee
847 Monroe Ave. Suite 327
Memphis, TN 38163
Lab: (901)448-7814
Office: (901)448-7530
Fax: (901)448-6828
"The mind is not a vessel to be filled,
but a fire to be lighted"

Author Unknown
Received on Sun Jun 11 2000 - 15:59:18 PDT
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