[gmx-users] trjconv and trjcat

[leafyoung81-group at yahoo.com]

--- fsaadedi at staffmail.ed.ac.uk wrote:

> Dear Users,
> 
> I ran a simulation which crashed.  As a result I
> have restarted the simulation
> and now I have have two .trr files.
> 
> The first trr file that crashed about 1480ps.
> The second trr file starts from 1300ps to 5000ps.
> 
> If I want to create one trr file without any
> conflicting timeframes what order
> do I need to run the programmes in?  trjconv/trjcat
> or trjcat/trjconv?
Use trjconv -b -e and then trjcat.
> 
> Also will it create a new ener.edr file, a new
> md.log and topol.tpr file which
> will represent the complete simulation?
For energy, use enerconv.

please read the manual and use -h for online help.
> 
> Any advice on creating one trr file would be most
> grateful.
> Thank you in advance.
> 
> Farid
> 
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