Run Gromacs to generate outputs.
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mpirun -np 40 -x UCX_NET_DEVICES=mlx5_0:1 -bind-to core -report-bindings \
mdrun_mpi -v -s stmv.tpr -nsteps 10000 -nb cpu -pin on |
Above step should generate “confout.gro” file which we will use to visualize.
Install VMD on Windows or Linux system from https://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD.
Visualizing confout.gro usingVMD
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Execute VMD
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