[gmx-users] minimization problems

[Hongyan Xiao]

Hi, gmx-users,

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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