On Fri, Jun 18, 2021, ankita mehta wrote:
>*Is there any way in scripting to wait while simulation is being run and
>var_equil_3.restrst is completely written and then cpptraj should run.*
Yes, this is what usually happens:
------------------------------------------------------------
#!/bin/bash
mpirun -mp 2 pmemd.MPI ....
cpptraj ....
------------------------------------------------------------
The cpptraj job will not be run until the pmemd job is finished.
....dac
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Received on Fri Jun 18 2021 - 05:30:03 PDT
