On 18/11/2010 6:32 PM, Efrat Noy wrote:
Hi,
How can I get detailed energies per interaction (that is bonding and
non-bonding terms for each pair/threesome/foursome of atoms) in Gromacs?
Thanks,
Efrat
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.
Mark
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