[gmx-users] Simulation with CsCl
Cecilia Fernándz Gauna
cfgauna at gmail.com
Tue Jun 8 16:31:17 CEST 2010
I am trying to simulate a polysaccharide in solution of water and CsCl, but
cesium is not parametrized in the gromacs 4. I am using the force
field GROMOS 96.
I have looked for the parameters of Cs+ in the OPLS Force field and I have
created 4 files: Cs.atp, Cs.itp, Csnb.itp and Cs.rtp. Also I have include
the parameters for Cs+ in the "ions.itp" file, but it didn't work, Can
someone help me?
Thanks in advance.
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