[gmx-users] trjcat eneconv time continuation

[Mark Abraham]

On 4/25/2011 8:42 PM, David Rodríguez wrote:
> Hi,
>
> I am dealing with a special case of trajectory concatenation: I have 
> several equilibration trajectories that their times are always 
> restarted to 0, due employing different force constants for positional 
> restraints, but using the output structure of the previous step as 
> input anyway. Using trjcat, it obviously works when you do:
>
> trjcat -f traj1.xtc traj2.xtc traj3.xtc traj4.xtc traj5.xtc traj6.xtc 
> -o traj_all.xtc -settime
>
> and you interactively introduce 'c' (continue) for each case (there 
> are no overlapping frames). I haven't found a way to continue the 
> trajectory times without using -settime (neither -cat nor -keeplast), 
> with both versions 4.0.7 or 4.5. At the same time, I've tried to 
> introduce the 'c' value in a non-interactive way (as indicated in 
> http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive) 
> when using -settime, but it doesn't recognize it.
>
> I was wondering if there is a way to make the above mentioned 
> command-line to work non-interactively. The same applies for the 
> eneconv tool when concatenating .edr files.

Unfortunately, the advice you'd get from people here on the topic of how 
to make such commands work non-interactively is already on the link you 
provided. You're more likely to get effective help if you say exactly 
what you did and how you observed "it doesn't recognize it".

Mark