>why RMSD? > >On Tue, Aug 5, 2008 at 9:19 AM, David van der Spoel <[EMAIL PROTECTED]> wrote: > wang kelvin wrote: >> >> hi: >> i am doing simulation of a system consists of 512 DMSO moleculers and >> 917 water moleculers. >> the whole system is running under 290K and 1bar ,and constraints = none; >> the simulation has taken 8000 ps ,but it seems not to get stable >> yet,because RMSD keeps rising. >> when i did simulation of the same system with constraints set all-bonds,it >> usually get stable within 3000ps. >> i wonder whether any mistakes has been made or it is normal. >> can you give some hints? >> thanks. > > what rmsd?
why it shouldn't rise? :))) -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq., 4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban _______________________________________________ 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
