Re: Sticking TIP4P water molecules AMBER

From: George M Giambasu (giambasu_at_gmail.com)
Date: Mon Dec 19 2011 - 10:16:56 CST

Norman,

can you tell us more on how you did prepare/generated your system?

Did you use "set default FlexibleWater on" in tleap/xleap?

See section 5 in this tutorial on how to use tip4p with amber ff in Namd.

http://ambermd.org/namd/namd_amber.html

George

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