Subject: Resp From: liz (zhijun.li_at_vanderbilt.edu) Date: Wed May 09 2001 - 14:14:32 CDT
To whom it may concern:
I'm trying to use RESP program to derive charges for propylammonium deoxyuracil. Could you give me more detail regarding to how to define charge constraints (ngrp and grpchg) in the RESP input files?
Thanks a lot!
Sincerely yours
Zhijun Li
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