Dear colleagues!
I faced a problem while trying to modify a trr-file using trjconv_d:
trjconv_d -f ketamine.t2.trr -s ketamine.2.tpr -n bilayer.ndx -o
ketamine.2.trr -b 43550
In my case the first frame of the trr-file starts at 43500ps (time step:
5ps).
I get the following ouput:
Will write trr: Trajectory in portable xdr format
Reading file ketamine.2.tpr, VERSION 4.0.3 (double precision)
Reading file ketamine.2.tpr, VERSION 4.0.3 (double precision)
Select group for output
Group 0 ( System) has 25400 elements
Group 1 ( POPC) has 10400 elements
Group 2 ( SOL) has 15000 elements
Select a group: 0
Selected 0: 'System'
trn version: GMX_trn_file (double precision)
*Skipping frame 4 time 43520.000 *
-------------------------------------------------------
Program trjconv_d, VERSION 4.0.3
Source code file: trnio.c, line: 66
*File input/output error:
Can not determine precision of trn file*
-------------------------------------------------------
It seems that the 4th frame at 43520ps is broken, but I somehow can't
get rid of it.
Can anybody help me?
Best regards
Hansjoerg Jerabek
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