Hi Gromacs, This is a basic question I am running a simulation of a copolymer and water at 325K and ambient pressure. I do not understand why the temperature in the box increases until 2000K , the pressure is really high as well but Ebond, Eangle, Etors, EVdW does not change. Only the temperature start increasing from 325K (target temperature) to 2000K
So to discard some problem with water, I have run a simulation without water at the same temperature and pressure and the results is almost the same, high pressure during the simulation(almost constant) and tempearature increases from 325K to 1500K. Any advice will be really appreciated. Javier Javier Sacristan Bermejo 115 Fenske Lab. Computer Polymer Simulations _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
