Dear developer,
Recently, I learned the pmemd.amoeba simulation using the JAC example
in /home/softwares/amber14/src/pmemd.amoeba/build_amoeba/examples/JAC. I
can successfully build the required files according to the tutorial.
BUT when submitting a task, in Run.amoeba_jac.pmemd (mpirun -np 8
/home/case/amber12/bin/pmemd.amoeba.MPI -O -i mdin -p jac.prmtop -c
jac.restrt -o jac_amoeba.pmemd.8.out), I can not obtain the restart file by
myself. Where does the jac.restrt come from or how to produce it using the
.prmtop and inpcrd?
Any suggestion will be grateful. Thanks!
Best regards!
Qianqian
Macau university of science and technology
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Received on Mon Dec 10 2018 - 20:00:01 PST
