Hi Guozhen, I know it has been a while, BUT I am having same/similar problem with CLAYFF. I start with a configuration optimised by CASTEP.
Have you found a solution? Did you continue using CLAYFF? I have a ClayFF.ff available, if you want to compare. Thanks,V -- View this message in context: http://gromacs.5086.x6.nabble.com/initial-temperature-ridiculously-high-tp4453069p5008641.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
