[gmx-users] g_energy -vis Question, Bug #1516

Cantu, David David.Cantu at pnnl.gov
Tue Sep 16 22:23:19 CEST 2014


Dear Gromacs users and developers.

I have a question about calculating viscosities with the –vis of g_energy, and big fix #1516 that was included in version 4.6.6.

Was bug fix #1516 on g_energy only? Or was it also on mdrun and how the ener.edr file is made?

What I need to know is if I can use g_energy from Gromacs 4.6.6 to analyze trajectories made with previous version of Gromacs. Specifically, I have many trajectories made using Gromacs 4.6.5. Can I take the ener.edr files created with 4.6.5, and use the –vis option correctly with g_energy of 4.6.6?

Thank you,
David


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