[gmx-users] WARNING: Incomplete frame

Brett brettliu123 at 163.com
Tue Apr 5 16:04:39 CEST 2016

Dear Justin,

WIll you please give a reply for the following question? Most probably I need to restart my MD from the beginning?


At 2016-04-05 17:18:31, "Brett" <brettliu123 at 163.com> wrote:

Dear All,

After energy minimization and equilibration, I started a 10 ns production MD. By accident the production MD stopped at 450 ps (which produced md_0_1.trr), and I continue the production MD from the previous 450 ps point (which produced md_0_1_from0.45to10ns.trr).

Then by gmx trjcat -f md_0_1.trr md_0_1_from0.45to10ns.trr -b 2330 -e 2331 -o md_0_12330psto2332ps.trr, I tried to get 2330-2331 frame trr file. However although I got the  md_0_12330psto2332ps.trr, GROMAS gave a strong warning message:
WARNING: Incomplete frame: nr 234 time 468

Will you please advise whether my " md_0_1_from0.45to10ns.trr" was totally broken and whether I need to restart my production MD? And why I got the incomplete frame?



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