On 28/02/2012 3:50 PM, priya thiyagarajan wrote:
hello sir,
while performing simulation for 30ns, because of queue time limit my
run terminated at 11.6ns.. then i extended my simulation using mdrun
as you suggest..
while doing so i got error as
Fatal error:
Failed to lock: md20.log. Function not implemented.
For more information and tips for troubleshooting, please check the
GROMACS
website at http://www.gromacs.org/Documentation/Errors
when i searched in mailing list i got one solution to this as
as a workaround you could run with -noappend and later
concatenate the output files. Then you should have no
problems with locking.
now when i tried using -noappend my simulation is working,.
is it correct??
Maybe. We can't know.
Also because my simulation is terminated because of queue limit i didnt get my
gro file..
did i get my gro file at the end of simulation without any error?
I don't understand what you are asking. See
http://www.gromacs.org/Documentation/How-tos/Extending_Simulation for
general discussion of this topic.
Mark
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