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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"The mind is not a vessel to be filled,
but a fire to be lighted"
Author Unknown
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Received on Sun Jun 11 2000 - 15:59:18 PDT
