Hello Gromacs users: I´m trying to obtain the density og a mixed membrane plus a protein. I use the command line: gmx_gpu density -ng 4 -f npt.xtc -s npt.tpr -o density.xvg. And this appears: Reading file npt.tpr, VERSION 5.0.4 (single precision)
Select 4 groups to calculate density for: Group 0 ( System) has 58780 elements Group 1 ( Other) has 58780 elements Group 2 ( PROTEIN) has 576 elements Group 3 ( DPPC) has 16640 elements Group 4 ( DPPE) has 15488 elements Group 5 ( TIP3) has 26076 elements Select a group: 3 & 4 & 2 & 5 Selected 3: 'DPPC' Select a group: Error: No such group '&' Select a group: Selected 4: 'DPPE' Select a group: Error: No such group '&' Select a group: Selected 2: 'PROTEIN' Select a group: Error: No such group '&' Select a group: Selected 5: 'TIP3' Last frame 5000 time 210000.000 Read 5001 frames from trajectory. Calculating density Is there anything wrong with the command line or with Select a group: Error: No such group '&'? Also i tried with 3 | 4 | | 2 | 5 and appears the same error but with | instead &? What about the Last frame 5000 time 210000.000? Why 5000 and not 210000.000?. Also, and .xvg file is generated Thanks -- 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].
