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.
