On Thu, Oct 27, 2011 at 12:47 PM, <c00jsw00.nchc.narl.org.tw> wrote:
> 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?
>
No. Without more details it's impossible to tell why it didn't work. We
need exact commands and exact error messages to help. (We don't even know
if it's an Amber problem)
Good luck,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Oct 27 2011 - 10:00:04 PDT
