Hi, indeed, this appears to be a bug, likely originating already from 5.0 times. I'll try to fix that soon. But it is just a convenience option, anyways: you can always write each of your selections as "mol_com of ...", and it should work the same.
Best regards, Teemu On Fri, Sep 25, 2015 at 11:50 AM Stelios Karozis < skaro...@ipta.demokritos.gr> wrote: > Hi Teemu > Thanks for your response, but -seltype is not available as a flag for > gmx rdf in gromacs 5.1 documentation, nor recognizable from cmd (I gave > it a try...) > > -- > Karozis Stelios > Chemical Engineer, MSc > Research Associate at EREL > NCSR D- INRASTES > tel: 0030 210 650 3403 > e-mail: skaro...@ipta.demokritos.gr > > > On Fri, 25 Sep 2015 11:23:39 +0300, "Teemu Murtola" > <teemu.murt...@gmail.com> wrote : > > > Hi, > > > > You should use -seltype instead of -selrpos in this case. > > > > Best regards, > > Teemu > > > > On Fri, Sep 25, 2015, 11:12 Stelios Karozis > > <skaro...@ipta.demokritos.gr> wrote: > > > > > Greeting everyone, > > > I strated using gromacs 5.1 and I have difficulties with gmx rdf > > > command. With older version of gromacs I used -xy -rdf mol_com > > > flags. As far as I can understand, the equivalent flags for > > > gromacs 5.1 are -xy -selrpos mol_com but the result is not correct. > > > For instance the first peak is at 0nm and not close to 0.5nm... > > > I believe I am not using the right flags. > > > > > > Thanks in advance for your help > > > > > > -- > > > Karozis Stelios > > > Chemical Engineer, MSc > > > Research Associate at EREL > > > NCSR D- INRASTES > > > tel: 0030 210 650 3403 > > > e-mail: skaro...@ipta.demokritos.gr > > > -- > > > 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. > -- 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.