It depending the time steps that u used or the molecule that u had is big..Thats why ur EM take a long time..Is better take a long time rather than quick but had a lot of errors..
On Wed, Oct 23, 2013 at 9:59 AM, Nimmy McNimmerson [via GROMACS] <ml-node+s5086n5011918...@n6.nabble.com> wrote: > I have some simulations of inserting a probe molecule into a bilayer. Some > molecules work fine. However, a certain class of molecules is taking an > absurdly long time to run the exact same simulation, even though I energy > minimized the molecules individually beforehand and there are no overlaps. > What might be going wrong? > > Thanks. > -- > gmx-users mailing list [hidden email] > 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 [hidden email]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > ________________________________ > If you reply to this email, your message will be added to the discussion > below: > http://gromacs.5086.x6.nabble.com/Energy-minimizations-taking-really-really-long-tp5011918.html > To start a new topic under GROMACS Users Forum, email > ml-node+s5086n4370410...@n6.nabble.com > To unsubscribe from GROMACS, click here. > NAML -- Best Regards, Nur Syafiqah Abdul Ghani, Theoretical and Computational Chemistry Laboratory, Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor. alternative email : syafiqahabdulgh...@gmail.com @ gs33...@mutiara.upm.edu.my -- View this message in context: http://gromacs.5086.x6.nabble.com/Energy-minimizations-taking-really-really-long-tp5011918p5011919.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 * 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
