[gmx-users] extending simulation confusion?

nishap.patel at utoronto.ca nishap.patel at utoronto.ca
Thu Feb 4 20:37:42 CET 2010


   I am trying to extend my simulation time from 100ns -> 300ns. So I  
used the command :

tpbconv -s old.tpr -extend 100000 -o new.tpr

but I got this:

Extending remaining runtime of by 200000 ps (now 149999992 steps)
Writing statusfile with starting step          0 and length  149999992  
                                  time      0.000 and length 300000.000 ps

So this means, basically the simulation is starting all over again and  
now it will run for 300ns? Is there a way I can specify what step to  
run from?


-Nisha P

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