Hi Priya, Inspect your trajectory visually and you'll probably see the cause of the high RMSD. Also check the mailing list on the topic.
Whether you'll see micelle formation depends on many factors. The time scale, for example. Cheers, Tsjerk On Jan 7, 2012 7:02 AM, "priya thiyagarajan" <[email protected]> wrote: hello sir, I performed dynamics for my lipopeptide... After md i thought of calculating rmsd... i did my md for 4ns.. when i plot graph for rmsd, i got plot til 2.2ns i dono why it came like this.. can anyone tell me why it is like this.. and also i like to clarify one doubt... If i do dynamics for 20surfactin, at the end of simulation how my result ll be..i.e. whether any miscelle formation at the end or ll my surfactin ll be like how it is at the begining.. Thanking you, -- 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
