Dear all,
When I used the NEB method with torque PBS system (Linux cluster), the Amber didn't work, such as the comand "mpirun -np 32 $AMBERHOME/exe/sander.MPI -ng 32 -groupfile groupfile" Could you tell me how to fix the problem?
Thank you
Yeng-Tseng Wang
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 27 2011 - 10:00:03 PDT
