Dear Marco, If no-one can suggest a Gromacs tool, it would be easy to output all the co-ordinates of the atoms and then calculate (atom position) - (average structure position) during post-processing. But maybe you know this already.
James On 10 July 2014 22:59, Marco Gerolin <marco.gero...@studenti.unipd.it> wrote: > Dear Gromacs users, > > I have an MD trajectory, and I need to subtract for each atom and each > frame, the coordinate of an average structure. > Has Gromacs a tool capable of this? > > > Thank you > -- > Marco Gerolin > Dipartimento di Scienze Chimiche > Università degli Studi di Padova > Via Marzolo 1, 35131 > Padova > -- > 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.
