[gmx-users] surface simulation
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
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users