2669 (Run 12, Clone 50, Gen 159) Water molecule can not be s

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voidn
Posts: 2
Joined: Thu Jul 02, 2009 7:57 pm

2669 (Run 12, Clone 50, Gen 159) Water molecule can not be s

Post by voidn »

t = 79500.014 ps: Water molecule starting at atom 80164 can not be settled.
Check for bad contacts and/or reduce the timestep.

This displays on the screen but is not written to a log file.

Brand new WU, last one (also 2669) finished just fine. Gromacs SMP Core. Happened once before but I just wiped out FAH and started over. Figured I report it this time.
bruce
Posts: 20824
Joined: Thu Nov 29, 2007 10:13 pm
Location: So. Cal.

Re: 2669 (Run 12, Clone 50, Gen 159) Water molecule can not be s

Post by bruce »

Thanks for the report . . . and do report others if you have any.

And welcome to the foldingforum, voidn.
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