[gmx-users] Gromacs 4.0.4 problem in extending MARTINI run by 600 ns, but no problem extending run by 60 ns using tpbconv

[himanshu khandelia]

Dear All,

I have run into this problem while using tpbconv. I typically write a new
set of output files every ~ 600 ns. However, after about 108 repeats,
tpbconv fails to write a new .tpr file:

###################
tpbconv -s poptocg25-108.tpr -extend 600000 -o poptocg25-109.tpr

...
...
Reading toplogy and shit from poptocg25-108.tpr
Reading file poptocg25-108.tpr, VERSION 4.0.4 (single precision)
Extending remaining runtime of by 600000 ps (now -2134967296 steps)
You've simulated long enough. Not writing tpr file
###################

However, there is no problem if I try to extend the run by only 60 ns?

###################
tpbconv -s poptocg25-108.tpr -extend 600000 -o poptocg25-109.tpr

...
...

Reading toplogy and shit from poptocg25-108.tpr
Reading file poptocg25-108.tpr, VERSION 4.0.4 (single precision)
Extending remaining runtime of by 60000 ps (now 2142000000 steps)
Writing statusfile with starting step          0 and length 2142000000
steps...
time      0.000 and length 64260000.000 ps
###################

Thank you for the help,

-himanshu
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