Hi,
Do you have ntwx > 0 in your MDIN file?
-Dan
On Mon, Jun 29, 2020 at 11:09 AM Seibold, Steve Allan <stevesei.ku.edu> wrote:
>
> 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 - 08:30:04 PDT
