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

Hi all,
I am trying to do some simulation with spc/e water using parm99 ff using
AMBER10.
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
paramters.
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?

With regrads,
Hemant Kumar
Graduate Student
CCMT,Department of Physics
IISC,Bangalore
URL www.physics.iisc.ernet.in/~hemant 

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