Hi all,
I apologize if this is a newbie question; I need to get the partial
charges and vdw radii for newly parameterized atoms. The partial
charges are easy to find in the mol2 output file, but the vdw radii
are harder to find. The closest I've gotten is some of the values in
the prmtop file, but this seems overly complicated (but maybe not-
I'm still very much a novice with Amber). Are they stored someplace
else or is this the place where I should be looking?
Thanks for the help!
- denny -
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Received on Tue Mar 02 2010 - 21:30:11 PST
