[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
More information about the gromacs.org_gmx-users
mailing list