Hello,<br><br>Thank you very much for your replies Mark and Justin.<br>with -deffnm option I can see all the data are written to my previous files.<br><br>one final question related to this topic:<pre>tpbconv -s previous.tpr -extend timetoextendby -o next.tpr<br>
</pre>Is the 'timetoextendby' the actual time or 'nsteps'? For example in the .mdp file I have the time step as 0.002 and I want to extend the simulation by 50 ns.<br>so should I put timetoextendby as '50000000' or '25000000'?<br clear="all">
<br>-- <br>Shyno Mathew<br>PhD student<br>Department of Chemical Engineering<br>Columbia University<br><br>