杭军 陆 wrote: > Hi, > > */ 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?/* > */ thanks!/*
Of course. How do you model the channel? If you put two membranes like this: Water === membrane ==== Water with salt === membrane ==== Water (periodic) the membrane will probably break sponteously. Look for papers by Ilpo Vattulainen on this topic. > > 雅虎邮箱，终生伙伴！ > <https://member.cn.yahoo.com/cnreg/reginfo.html?id=89034> > > > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- David van der Spoel, Ph.D. Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
