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.
2669 (Run 12, Clone 50, Gen 159) Water molecule can not be s
Moderators: Site Moderators, FAHC Science Team
Re: 2669 (Run 12, Clone 50, Gen 159) Water molecule can not be s
Thanks for the report . . . and do report others if you have any.
And welcome to the foldingforum, voidn.
And welcome to the foldingforum, voidn.
Posting FAH's log:
How to provide enough info to get helpful support.
How to provide enough info to get helpful support.