[gmx-users] Why did it start from the very beginning???

liu xin zgxjlx at gmail.com
Wed Apr 18 15:27:43 CEST 2007

Hi GMX users

My 2ns simulation crashed accidentally, gmxcheck said my previous simulation
was stopped at 1400 ps, then I used the tpbconv to generate a new tpr to
restart it from the previous ending point:
"tpbconv -f -e -s -o new.tpr"
but I found the output message of tpbconv said:
"1000000 steps (2000 ps) remaining from first run.
Writing statusfile with starting step          0 and length    1000000
                                 time      0.000 and length   2000.000 ps"
and if I use the new.tpr, the simulation will run another 2ns! I doubt that
this new.tpr will restart my simulation from the beginning. Then I tried
-time 1300, -time 1000, -until 2000, the output message was the same.
Did I use the tpbconv in a wrong way?

Thanks in advance!

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