Hi Jose, Check g_rmsdist -h Not sure about the references though.
Cheers, Tsjerk On Nov 22, 2011 3:23 PM, "Jose Borreguero" <[email protected]> wrote: Dear Gromacs users, Is there any algorithm/procedure to calculate NOEs from an MD trajectory? I'd greatly appreciate any references where the algorithm is described. Best regards, Jose M. Borreguero -- 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
