Re: [AMBER] Execution Trouble

From: David A Case <>
Date: Fri, 18 Jun 2021 08:13:11 -0400

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:
mpirun -mp 2 pmemd.MPI ....
cpptraj ....

The cpptraj job will not be run until the pmemd job is finished.


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Received on Fri Jun 18 2021 - 05:30:03 PDT
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