[gmx-users] surface simulation

Hongyan Xiao hyxiao at mail.ipc.ac.cn
Mon Nov 3 02:09:45 CET 2008


Hi, Mark Abraham,
 
I accepted your suggestion on the language. 
 
I simulated the CCl4 surface system. In order to simplify model, using the 
vacuum replaced the gas phase. Furthermore, I found some paper by other 
people also deal with the gas/liquid using the vacuum. In vacuum/CCl4, can I 
control the CCl4 molecule not to run to the vacuum using the gromacs? For 
example, using the wall, but I do not set up wall parameters well. Please 
give me some suggestion. Thanks again!
 
H. Y. Xiao

 
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