Dear all, We are stuck at the last stage of running a successful REMD. We have obtained average potential energy by fitting the energy values from initial MD. We want to get the temperature spacing for 72 replicas, starting from 280K. We have gone through numerous papers, but none of them explain clearly how they got the spacing values. Is there any equation/formula/web utility which gives the spacing?
Any help will be highly appreciated. Thank you. Nikunj & Suhani -- 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
