Dear Gromacs, I am following Justin's tutorial of "Lysozyme in Water" to run the MD.
The .trr file got more than 10 GB after 30 ns. So I plan to run a MD with less frequent intervals. In the md.mdp file, the "dt = 0.002". My understanding is to change the five "5000" into "50000" to achieve 10 times less file size: i.e. change the following nstxout = 5000 nstvout = 5000 nstenergy = 5000 nstlog = 5000 nstxout-compressed = 5000 into nstxout = 50000 nstvout = 50000 nstenergy = 50000 nstlog = 50000 nstxout-compressed = 50000 Can I ask, if there is something else I need to do in addition to those five "5000"? Thank you. Yours sincerely Cheng -- 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.
