[gmx-users] error when continuing the REMD

OuyangYanhua 15901283893 at 163.com
Sat Jun 25 05:26:06 CEST 2016


Hi,
	I am continuing the uncompleted the REMD of a protein  in an explicit water because the limited time which supercomputer has. 
	when I submit the command: mdrun_mpi -s md_.tpr -multi 67 -replex 1000 -cpi state.cpt -append.
	It appears error:
	Fatal error:Failed to lock: md1.log. Already running simulation?	
I don’t know how to deal with the problem. Is someone confront with such problem?


Best regards,
Ouyang


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