[gmx-users] What is the relationship between simulation time
sansanqin00 at mails.tsinghua.edu.cn
Thu Nov 22 08:46:56 CET 2007
Thanks very much, what you have mentioned are situations which are temperature fixed. How about the molecular rearrangement when temperature is changed , for example, a lipidbilayer equilibrated at a temperature and then put it at another temperature? I know when I do this kind of simulations , it equilibrates after about 12 ns (the total eneragy become unchanged). Is the real process of the same time scale?
Any suggestion will be appreciated, thanks in advance.
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