Hi all, I want to do MD for my system. In this I want to raise the temperature of the system above its melting point (say 500K) and then hold it there for next 1000 iterations at same temperature. I have tried raising the temperature but I don't know how to hold it at specific temp and do further 1000 iterations for the same temp. Also, how can we specify initial velocity? Please suggest the same.
-- Vipul S. Ghemud Ph.D. student. Dept of Physics, SPPU, Ganeshkhind, Pune- 411007. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
