Mu Yuguang (Dr) wrote:
Dear all,
How to output energies of different groups during the MD simulation?
with g_energy, if you have used energy groups in the simulation...
No, I mean output the group energies in the flying ( using cut-off,
during the simulation, not after the simulation), I think I have to
modify the source code.
What do you mean "in the flying"?
Best regards
Yuguang
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
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