[gmx-users] water model

mahdiyeh poorsargol poorsargol.m64 at gmail.com
Mon May 9 10:05:00 CEST 2016

Dear all
I am a beginner in gromacs. I want to use water in my system. I choose the
SPC/E water model in the topol.top file by:

; Include water topology
#include "spce.itp"

My question is, is rigid water molecule in the SPC/E model or should use
the SHAKE algorithm for water in order to fix the length of bonds and
I would be more than pleased if someone could guide me.
Thank You in advance

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