[gmx-users] replica exchange
Neda Rafiee
nerafiee at ipm.ir
Sat Jul 1 08:58:46 CEST 2017
Dear All,
I am doing replica exchange for a peptide in water and I used the following command to run my system:
mpirun -np 4 mdrun_mpi -v -multidir equil[0123]
but I encountered with an error saying:
HYDU_create_process (utils/launch/launch.c:75): execvp error on file mdrun_mpi (No such file or directory)
Can anyone help me find out the problem?
Thanks
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