hi, when i am using the command gmx msd -f prd.xtc -n il.ndx -s out3.tpr -mol -o msd.xvg
after that choosing a group the following line is coming. Select a group to calculate mean squared displacement for: Group 0 ( System) has 5616 elements Group 1 ( Other) has 5616 elements Group 2 ( c2) has 2376 elements Group 3 ( ntf2) has 3240 elements Group 4 ( N) has 216 elements Group 5 ( N) has 216 elements Select a group: 3 Selected 3: 'ntf2' Split group of 3240 atoms into 216 molecules Reading frame 5000 time 20000.000 Killed and i cant get the msd file any suggestion regarding this?? thank you -- 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.
