Justin A. Lemkul wrote:
If you do this, please report what you see and I'll update the wiki page.
From a quick test case, it appears that -time does not override what is
specified in the .mdp file. For example, if tinit = 1000 in the .mdp file, but
then I issue:
$ grompp -f test.mdp -c conf.gro -p topol.top -t traj_1ns.trr -e ener_1ns.edr
-time 500 -o test.tpr
The output .tpr file starts at 1000 ps. So I suppose one would have to nix the
tinit line in the .mdp in order to use -time.
-Justin
Right, well that's consistent. Easier still is to use tpbconv :-)
Mark
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