[AMBER] pmemd.MPI and minization trajectories

From: Seibold, Steve Allan <stevesei.ku.edu>
Date: Mon, 29 Jun 2020 15:09:07 +0000

When I energy minimize in pmemd.MPI, I cannot read the trajectory output file "file.nc". The error in cpptraj is "Netcdf file is empty". If I run imin =0, and do conventional MD, there is no problem. The cpptraj package reads the trajectories just fine. Am I missing a flag in the input file that is not allowing me to visualize the minimization trajectories?

Thanks, Steve
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Received on Mon Jun 29 2020 - 08:30:03 PDT
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