[gmx-users] detailed energies per interaction
Mark.Abraham at anu.edu.au
Thu Nov 18 10:03:23 CET 2010
On 18/11/2010 6:32 PM, Efrat Noy wrote:
> How can I get detailed energies per interaction (that is bonding and
> non-bonding terms for each pair/threesome/foursome of atoms) in Gromacs?
Please search the archives before posting. There have been several
threads on this in the last fortnight. Basically, you can't get the
bonded terms easily.
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