[gmx-users] osmotic pressure in Gromacs

杭军 陆 zjlhjun at yahoo.com.cn
Thu Nov 29 17:30:09 CET 2007


   We want to simulate water transport through channel by osmotic pressurce using Gromacs software. The force on the water molecules is usually applied only in a buffer zone, not on all water molecules. How to set up my system. In my opion, we can only define a simple group by index. Water molecules are moving, so the water molecules in a buffer zone change frequently. How to define the group of water molecules in a buffer zone. Gromacs can do it?

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