[gmx-users] continue to calculation error
348363213 at qq.com
Thu Nov 9 10:17:38 CET 2017
I use GROMACS-4.6.5 to run a biology system. When the time arrived 5000ns, then I should go on my calculation.
I use tpbconv –s 1.tpr –f 1.trr –e 1.trr –extend 4000000 –o 2.tpr
Then I run 2.tpr, the time appeared -3589934.59200, and the step was -1794967296.
And the error was: warning there may be something wrong with the energy file 2.edr. found: step=-1794966000, nre=48, nblock=0, time=-3.58993e+06. Trying to skip frame expect a crash though.
Why does the time appear negative value?
Thank you very much.
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