AMBER: specifying RSOLV when calculating 2003 force field charges

From: Kenley Barrett <>
Date: Fri, 24 Feb 2006 14:50:07 -0600

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

Thank you very much in advance for your help.


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Received on Sun Feb 26 2006 - 06:10:20 PST
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