> I totallly have no idea to set its radius!
The atom type from the .lib is looked up in parmXXX.dat or .frcmod files
in the nonbonded parameter section. So pick an atom type and then if it's
a new one make a .frcmod with the R* and epsilon parameters in it and
load that too (loadamberparams cmd or similar).
Bill
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Received on Fri Sep 03 2010 - 17:00:04 PDT
