[gmx-users] on -dt of trjcat and trjconv
erik.marklund at chem.ox.ac.uk
Mon Apr 4 10:35:59 CEST 2016
MOD refers to the modulus operator. For example, trjconv -f infile.xvg -s infile.tpr -dt 1000 -o outfile.xvg will downsample a trajectory and save only the frames at multiples of 1000 ps (0 ps, 1000 ps, 2000 ps, …), assuming that infile.xvg starts at 0 ps.
> On 4 Apr 2016, at 05:21, Brett <brettliu123 at 163.com> wrote:
> Dear All,
> For both trjcat and trjconv, there was an option "-dt", which the on-line GROMACS material explained as following, "Only write frame when t MOD dt = first time (ps) ".
> Will you please explain to me what is the meaning of "Only write frame when t MOD dt = first time (ps)", by a detailed example with command?
> 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-request at gromacs.org.
More information about the gromacs.org_gmx-users