> > You can opt for 3). > > If your system only compose of nanotube and water, why freeze it?
Thank Yang Ye, we are doing some tests on effects of T-coupling caused by removing COM in the system with freeze groups Regards, Yusong > > tuyusong wrote: > > > > Hi, all, > > > > > > > > I have a system with one carbon Nanotube and lots of water, > > in which Nanotube is frozen. How do I remove the center-of-mass: > > > > > > > > 1) only remove the COM of SOL > > > > 2) remove both COM of SOL and CNT, separately > > > > 3) only remove the COM of "system" as a whole. > > > > 4) do not use any COM > > > > > > > > How do I make the choices? > > > > I use gromacs program 3.3.3 > > > > > > > > Thank you very much!!! > > > > > > > > Yusong. > > > > > > > > ------------------------------------------------------------------------ > > > > _______________________________________________ > > gmx-users mailing list gmx-users@gromacs.org > > 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 > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
