> Do fixed molecules have a temperature? What temperature is in fact? > Yeah, I want to give all fixed molecules a temperature. The >temperature in left box is 253K, in right box is 283K. So there is 30K >gradient between these two boxes. The middle ice should melt from right to >left. > > So, you mean to fix molecules and assign temperature can be found in >manual? > > BTW, could you suggest me any example to refer to ? Thanks.
Also, you have to pay much attention to the selection of the water force field model. Not all of them are excellent in simulating the phase change. P.S. And please don't send the same messages twice. It is inconvinient to process them. _______________________________________________ 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
