AMBER Archive (2009)
Subject: [AMBER] SPC/E HOH angle
From: Hemant Kumar (hemant_at_physics.iisc.ernet.in)
Date: Fri Oct 30 2009 - 05:36:55 CDT
I am trying to do some simulation with spc/e water using parm99 ff using
To change default water parameter value from TIP3P to SPC/E,I need to
source frcmod.spce file which is supossed to change angle bond etc
But frcmod doesn't have any term HOH angle which is diffrent from
TIP3P(104 vs 109). then how leap takes correct bond angle for prmtop file?
Am I missing something?
CCMT,Department of Physics
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