[gmx-users] surface simulation

Hongyan Xiao hyxiao at mail.ipc.ac.cn
Mon Nov 3 01:09:45 CET 2008

Hi, all gmx-users,

 I was simulating a CCl4 surface system. I encounter some problems. I hope 
for your help.
First I built a 3x3x3 nm3 CCl4 box, then solved it into a  3x3x15 box in 
order to form gas/CCl4/gas surface system. After simulating in NVT, two CCl4 
molecules run away to the gas phase. I want to know how to control CCl4 not 
to run to gas phase. I used the gromos96 force field. Can you help me?
I expect your answer. Thanks a lot!

H. Y. Xiao 
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