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
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-6
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