VMD-L Mailing List

From: Mohan maruthi sena (maruthi.sena_at_gmail.com)
Date: Sat Sep 21 2013 - 14:23:58 CDT

Hello Vmd users,
               I trying to find parameters for a organic molecule. After
generating initial parameter file , to find out water interaction we find
donor acceptors and generate gaussian files. After running gaussian
calculation and loading log files , I find some of the water molecules are
still lying at the same position as initial gau file. May i know why it
happens and what is the criteria to give donor acceptor atoms?

Thanks & regards,
Mohan Maruthi