[gmx-users] on -dt of trjcat and trjconv

[Erik Marklund]

Dear Brett,

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.

Kind regards,
Erik

> 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?
> 
> Brett
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