Thanks for your reply. I saw it and tried to change the code to work with gromacs 5 but my output plot doesn’t seem right. the code is written for gromacs 3.3 and is not easily build agains 5. do you have a version working on 5?
thanks > On Jul 18, 2015, at 1:32 AM, bipin singh <bipinel...@gmail.com> wrote: > > There is a modified version of g_covar available at the below link for > calculating correlation matrix: > > http://www.gromacs.org/Downloads/User_contributions/Other_software > > http://www.gromacs.org/@api/deki/files/55/=g_covar.tgz > > > ------------------------------ > Thanks and Regards, > Bipin Singh > > On Fri, Jul 17, 2015 at 6:51 PM, Ebert Maximilian <m.eb...@umontreal.ca> > wrote: > >> Dear list, >> >> I am looking for a gromacs tool which is able to calculate/draw a map of >> residues which are either in their motion correlated or anti correlated. >> first i thought i could just use g_covar with c-alpha and use the -xpma >> option but while reading previous mailing list posts people said that the >> atomic covariance matrix does not correlate motions. All posts I found >> where older and the script from the gromacs site for a g_covar tool which >> can calculate the correlation plot is from 2009. Therefore, i wanted to >> know if gromacs 5 is able to directly calculate the plot. if not does >> anybody know a straight forward way of doing so for a gromacs trajectory? >> >> thank you very much, >> >> max >> -- >> Gromacs Users mailing list >> >> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before >> posting! >> >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> * For (un)subscribe requests visit >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or >> send a mail to gmx-users-requ...@gromacs.org. >> > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
