[gmx-users] minimization problems
hyxiao at mail.ipc.ac.cn
Thu Jan 8 09:15:22 CET 2009
I built a system,decane(42molecule)/water(903)/decane(42), including the two
decane/water interfaces. However, when I minimized this system, I found the
system turn into water/decane(84)/water. That is to say in the initial
system two parts of decane turn into a part, while water turns into two
parts. I am surprised by the minimized result. Can you tell me the possible
reasons? Thank you very much!
H. Y. Xiao
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