[gmx-users] how to reassign velocities in the .mdp file effectively?

MD refmac5 at gmail.com
Thu Jul 5 18:51:59 CEST 2018


Hi Gromacs folks,
I am trying to test the reproducibility of the md production run. Should I
use the product from the previous MD run as the starting structure and run
it with the same mdp files, or just simply do a re-run with all the same
mdp files from the original pdb file?
Thanks in advance,
Ming


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