Dear GROMACS users, I started to use GROMACS 2016-beta2 recently, and I found that gmx rdf had been changed. I read the manual(http://manual.gromacs.org/documentation/2016-beta2/onlinehelp/gmx-rdf.html), but I couldn't understand exactly how to use gmx rdf. So tell me the following command is right or not.
I want to calculate the rdf of the molecular center of mass. I executed the following command. >>gmx rdf -f oligomer.trr -s oligomer.tpr -selrpos mol_com -o rdf-oligomer.xvg Then I selected 2(MOL). Is it right to write "-selrpos mol_com" to calculate the rdf of the molecular center of mass? Thanks for reading. Regards, Ryoto -- 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 [email protected].
