On Sun, May 19, 2013 at 3:47 PM, vidhya sankar <[email protected]>wrote:
> Dear Baptiste , > Thank you for your reply I have checked Nothing > Wrong in the corresponding atom environments > also if is Bad contacts During Energy Minimization it shows error .BUT > My EM was successful . Maybe. EM is a local minimization procedure, not a global cure-all. > I Think Equilibration is not enough > Your equilibration seems to be crashing, so the question of "enough" does not arise. Follow a published methodology, and simplify your system until you learn how to make things work. Mark > > How to check Whether My system is attained equilibrium or Not ? > > > Thanks in advance > -- > 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 > -- 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
