Thanks Justin Also I wanted to ask that to know my structure which has minimum energy, can I take the corresponding values of principle components, look at the time at which they occur simultaneously, and hence note the structure corresponding to that time. Will it be reasonable enough or its vague.
Thanking in advance Siddhant -- View this message in context: http://gromacs.5086.n6.nabble.com/g-sham-problem-tp4999200p4999202.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
