[gmx-users] membrane equilibrium problem.

nanyu101 nanyu101 at sina.com
Fri Jul 18 04:51:01 CEST 2003

Dear gms-users,
   I have met a problem when I run NPT/NVT for my lipid bilayer.There are many ion channel models and I want to know which model is the most stable in membrane.So I have done following operations.
1.I have made a hole in lipid bilayer(POPC/DPPC) and put my ion channels into this hole.Optimize rudely for my ion channel+lipid system.
2.Run NPT or NVT 600ps.Run optimization for NPT or NVT results and this energy is needed.
3. I have met a problem in this step. If I run NPT or NVT longer, the energy is lower? Why did this happen?

Thanks for your comments.

Best wishes,
Xianhui Wu


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