Dear AMBER community,
I am using GAMESS and RESP to create a library file for a methylated
histidine, according to the procedure described in Duan et al. 2003. I am
using IEFPCM continuum solvent model, as described in the article. But I
don't know how to define the solvent radius to match the Duan et al.
calculations. Could someone please tell me how to define RSOLV (solvent
radius)?
Thank you very much in advance for your help.
Kenley
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Received on Sun Feb 26 2006 - 06:10:20 PST
