[AMBER] RESP charge fitting

From: shome sankar bhunia <shome.sankar.gmail.com>
Date: Fri, 23 Sep 2011 07:22:37 -0400

Hii all
 I want to generate RESP charge for a ligand prior to MD simulation. I have
generated a gamess *.dat file for the purpose but how to extract the RESP
charge from the file?

-- 
*
*
*Regards
**Shome Sankar Bhunia
Medicinal & Process Chemistry Division
Central Drug Research Institute
India
*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Fri Sep 23 2011 - 04:30:03 PDT