Hi Andy, > I create a small group of atoms close to each other, say > 10-12 atoms, the temperature of these atoms varies alot while the > temperature the whole system does not, why is this?
A mob is always uniform. :) You have a normal situation indeed. > Is there a way to > accurately determine the temperature of a small number of atoms? To make many-many simulations and then average. -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq.,4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban tel.: +38-097-8259698 _______________________________________________ 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
