From: Hasan haska (hasanhaska_at_yahoo.com)
Date: Thu Feb 02 2012 - 01:48:22 CST
I want to
perform md simulations with the namd.conf file ( in attached ) in NVT ensamble
for an interface system. The system includes water and one type of molecule .
Also I want to use “rigidBonds water” option for equilibration and production
run. Does this cause any problems with the simulations when I do trajectory analysis ? Can I getconsistent results with experimental datas when I use “rigidBonds water” option?
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