Hello I fudged a restart on gromacs 2018 and am missing 195 femtoseconds from my trajectory. This shouldn't matter because I only need a 10 picosecond resolution trajectory. However, when I try to correct the timestep with trjconv and -timestep it doesnt seem to have done anything.
*gmx trjconv -f 40t84_10p_concat.xtc -timestep 10 -o 40t84_10p_concat_10.xtc* This command worked but when running *gmx check* on the new trajectory afterward there are still a bunch of timesteps don't match errors. gmx check -f 40t84_10p_concat_10.xtc ^MReading frame 0 time 40000000.000 # Atoms 1716 Precision 0.001 (nm) ^MReading frame 1 time 40000008.000 ^MReading frame 2 time 40000020.000 Timesteps at t=4e+07 don't match (8, 12) ^MReading frame 3 time 40000032.000 ^MReading frame 4 time 40000040.000 Timesteps at t=4e+07 don't match (12, 8) ^MReading frame 5 time 40000048.000 ^MReading frame 6 time 40000060.000 -- 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.
