[gmx-users] negative steps from tpbconv

[Jesper Sørensen]

Hi,

 

I am trying to extend the run time in tpr file to include more steps using
tpbconv


This has worked well for a while, but now I get two errors
 

One is that it writes “now -2074660000 steps”, which doesn’t make sense –
why is this number negative


Also, “You've simulated long enough. Not writing tpr file”

 

If I extend the simulation using the –nsteps flag, then it will write the
tpr file, but still comes up with negative numbers whens starting mdrun with
the file, which mdrun does not exactly like.

 

Output is a s follows:

READING COORDS, VELS AND BOX FROM TRAJECTORY
../T305/512DPPC_9728W_305K_625ns.trr...

 

trn version: GMX_trn_file (single precision)

Read    trr frame   4166: step 2124660000 time 53116500.000

 

Using frame of step 2124660000 time 5.31165e+07

Extending remaining runtime of by 625000 ps (now -2074660000 steps)

You've simulated long enough. Not writing tpr file

 

Best regards,

Jesper

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