[gmx-users] a question on trajcat settime

[Peter C. Lai]

There is no need to use -settime. trjcat automagically takes the time of the 
last frame from the previous file and starts the next segment of the output 
file with it.


On 2012-11-04 08:46:29PM -0800, Acoot Brett wrote:
> Dear All
> 
> First I ran a 5 ns MD (md-0ns-5ns), I get md-0ns-5ns.tpr and md-0ns-5ns.cpt,then I extend it for 1 ns by
> 
> tpbconv -s tpbconv -s md-0ns-5ns.tpr -extend 1000 -o md-5ns-to-6ns.tpr
> 
> mdrun -deffnm md-5ns-to-6ns -cpi md-0ns-5n.cpt 
> 
> Then I further extend it for 2 ns by 
> 
> tpbconv -s md-5ns-to-6ns.tpr -extend 2000 -o md-6ns-to-8ns.tpr
> 
> mdrun -deffnm md-6ns-to-8ns -cpi md-5ns-to-6ns.cpt 
> 
> Then I connect the md-0ns-5ns.trr, md-5ns-to-6ns.trr, md-6ns-to-8ns.trr by "trajcat -f md-0ns-5ns.trr, md-5ns-to-6ns.trr, md-6ns-to-8ns.trr -o md-0ns-8ns.trr -settime".
> 
> Will you please explain to me on hoe to use "-settime"? Should I input "0,5000,6000"? or something else in order to connect the 3 trr files in time sequence from 0 ns to 8 ns?
> 
> I am looking forward to getting your reply.
> 
> Cheers,
> 
> Acoot
> 
> 
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Peter C. Lai			| University of Alabama-Birmingham
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