Dear All, Hope this is not tooo stupid a question. I recenttly reduced my file sizes by increasing the time between writing. However, if I do an Umbrella run I get the following to my logfile output, which makes my log file in the end larger than my trajectory;
.... Dispersion correction V -5.49759e+03 dVdl 0.00000e+00 Dispersion correction V -5.49756e+03 dVdl 0.00000e+00 Dispersion correction V -5.49753e+03 dVdl 0.00000e+00 Dispersion correction V -5.49750e+03 dVdl 0.00000e+00 Dispersion correction V -5.49747e+03 dVdl 0.00000e+00 Dispersion correction V -5.49744e+03 dVdl 0.00000e+00 Dispersion correction V -5.49741e+03 dVdl 0.00000e+00 Dispersion correction V -5.49738e+03 dVdl 0.00000e+00 Dispersion correction V -5.49735e+03 dVdl 0.00000e+00... Does anyone know how to turn this off for the logfile, I get one of these for each step, instead of for each write step? My write portion of the .mdp file is; nsteps = 20000000 ; 2 * 50000 = 100 ps dt = 0.0002 ; 2 fs tinit = 0 ; Output control nstxout = 100000 ; save coordinates every 0.2 ps nstvout = 100000 ; save velocities every 0.2 ps nstenergy = 100000 ; save energies every 0.2 ps nstcalcenergy = 100 nstfout = 100000 nstlog = 100000 ; update log file every 0.2 ps nstxtcout = 100000 Any quick help is appriciated. Sincerely, Stephan Lloyd Watkins -- NEU: FreePhone - 0ct/min Handyspartarif mit Geld-zurück-Garantie! Jetzt informieren: http://www.gmx.net/de/go/freephone -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
