AMBER Archive (2002)

Subject: choosing a forcefield

From: nepenthes_at_vplaces.net
Date: Thu Mar 07 2002 - 21:51:25 CST

Hi,

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.

Regards,
Rowyna K.
ISB
University of Malaya

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