From: Hasan haska (hasanhaska_at_yahoo.com)
Date: Tue Mar 24 2015 - 16:07:08 CDT
Dear All,
I’m planning to do a hydrogen bond analysis for the atoms in different molecules that can generate hydrogen bonds. So, do I have to define DONOR and ACCEPTOR terms in their topology files before starting the simulations ? or anything that I must do for the preparation ? And Are there any tools or packages you suggest me about this analysis ?
Thanks.
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