[gmx-users] Extracting energy from trajectory file
ssomani at bii.a-star.edu.sg
Wed Mar 10 07:37:01 CET 2004
Hi all users,
We need to find the interaction energy between a group of atoms (that
we didn't define before
the simulation) and the rest of the protein.
Is it possible to extract the van der Waals & coulomb energies from the
positions in trajectory file, rather than
adding the energy group and re-running the simulation?
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