[gmx-users] tpbconv

Oliver Beckstein oliver at biop.ox.ac.uk
Mon Apr 7 19:39:00 CEST 2003


>  I have a problem continuing my MD run using tpbconv utility. I get a
> rerun instead of a continuation. What should I do to continue from the
> last frame of a run. 

For me the following has already worked 100 times:

  tpbconv -s initial.tpr -f initial.trr -o cont.tpr

Just in case you have to continue the new run as well, do something like

  tpbconv -s cont.tpr -f cont.trr -o cont_2.tpr

Good luck,
Oliver

-- 
Oliver Beckstein * oliver at bioch.ox.ac.uk
 http://indigo1.biop.ox.ac.uk/oliver/




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