Hi Martin, Thank you for your sugestion. When I read the manual I understood that the simulated anealing option should be used as an optimisation step instead of an MD step. I will try it.
Cheers, Priscila
_______________________________________________ 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
