Hi My system has been dealt with minimisation and the system was kept constant at 0 K.
Then, I want to increate the temperature to 300 K using the Berendsen thermostat. Should I increase the temperature of the system step by step... ? increase temp from 0 K to 50 K 51 K - 100 K 101 K - 150 K 151 K - 200 K 201 K - 250 K 251 K - 300 K seperately? or increase temp from 0 K to 300 K at one time? After the temperature of the system reaches 300 K, should I use Nose-Hoover temperature coupling to keep the system at the equliibration on 300 K? I have read manual though..... Thanks a lot Lin _______________________________________________ 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