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@drroe drroe commented Jul 20, 2022

Version 6.12.0.

Add the nobondstoh keyword to the energy calculation for skipping energy of bonds to hydrogen (useful for reproducing Amber ntf=2 calculations).

Also slight change to the angle energy calculation to make it exactly what is output by SANDER from Amber (only affects linear or close to linear angles).

@drroe drroe self-assigned this Jul 20, 2022
@drroe drroe merged commit 3cd8672 into Amber-MD:master Jul 20, 2022
@drroe drroe deleted the fix.ebond branch July 20, 2022 14:54
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