From: Jiao, Dian NMN (-EXP) (dnjiao_at_sandia.gov)
Date: Fri Nov 04 2011 - 16:50:20 CDT
Hi all,
I was trying to run simulations for an ion channel embedded in a lipid bilayer. With constant area restraint, I was able to run 10-ns MD simulation for the system at 300k without any problem. However at high temperature (600k), the waters and lipids start to expand in both directions of Z-axis. If I turn on the surfacetension, they would expand in X and Y directions instead. Since NAMD does not allow to have both constant area and surface tension at the same time, I wonder if there is a way to exert forces in X, Y and Z directions to hold the system together.
Thanks.
Dian
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