choosing a forcefield

From: <>
Date: Thu 7 Mar 2002 22:51:25 -0500


I'm new to Amber and I would be grateful for some opinions regarding the Cornell et al. 1995 force field (parm94.dat and parm99.dat) and Weiner et al. 1984,1986 force field (parm91.dat). I'm working to dock a small ligand into a hexamer protein and in general, I'm interested to know which of the forcefield parameters will be suitable. Please excuse me if this may sound trivial but I would really be grateful for some input as many of you would be well verse with using Amber.

Thanks a lot in advance.

Rowyna K.
University of Malaya

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Received on Thu Mar 07 2002 - 19:51:25 PST
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