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?? 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? please help me with your answer.. thanking you,
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