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- 11:01 AM GROMACS Bug #2040 (Closed): Ewald 3DC and surface correction forces missing
playing around with the 3DC of Yeh and Berkowitz  we realised that the energy correction (eq. 10 in ) is...
- 09:07 AM GROMACS Bug #1501: Wall combined with perturbed energy results in zero interaction for state B
- Actually, I should add that the total interaction with the wall is accounted for in the derivative of the perturbed H...
- 02:56 PM GROMACS Bug #1501 (Closed): Wall combined with perturbed energy results in zero interaction for state B
- For the perturbed energy, the state A is defined as (1-lambda) whereas B is set to
0 and correspondingly the wall in...
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