It is posible to allow Bond and angle degrees of freedom in tip3 water??

From: Leonardo Sepulveda Durán (
Date: Mon Sep 26 2005 - 16:52:55 CDT


As I understand, default dynamics in namd uses a rigid TIP3P water model. I
have read from old papers that this is a convention to save computer time,
so in principle it could be posible to allow bond and angle degrees of
freedom in tip3p. If this is right, How can a do a Simulation with flexible
tip3p? what is needed? I would like to its effect in my system.



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