[gmx-users] writing xtc file from trr file
Mark.Abraham at anu.edu.au
Thu Aug 16 23:37:34 CEST 2007
priyanka srivastava wrote:
> Dear all,
> While running a job, since there was space problem I could not write the
> xtc files. Now when I do the analysis and use the trr file it reports
> the time values after every 5ps i.e. 2000, 2005, 2010 etc. However I
> wish to write the xtc file using trjconv such that the timestep is
> reported after every picosecond.
> Is this possible or do I need to rerun the entire simulation again to
> get the xtc file?
The options in section 7.3.7 of the manual are controlling things here,
and there's no way to regenerate your intermediate positions without
redoing the simulation. Bad luck!
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