| commit | 368b44635d6b539a20bba6b54803849bce4fc1c6 | |
| author | Berk Hess <hess@kth.se> | |
| Thu, 2 Nov 2017 08:42:39 +0000 (2 09:42 +0100) | ||
| committer | Berk Hess <hess@kth.se> | |
| Thu, 2 Nov 2017 08:42:39 +0000 (2 09:42 +0100) | ||
| tree | 2b878bd6c80e668923207986c3c2e43ca60111ca | treesnapshot (tar.gz zip) |
| parent | bfe273296038387e18dcadbdfe1d84fd429abd37 | commitdiff |
Add missing Ewald correction for pme-user
With coulomb-type = pme-user, the Ewald mesh energy was not subtracted
leading to (very) incorrect Coulomb energies and forces.
Fixes #2286
Change-Id: Idfef9896d484e254264150e718c5516a832a2ad4
With coulomb-type = pme-user, the Ewald mesh energy was not subtracted
leading to (very) incorrect Coulomb energies and forces.
Fixes #2286
Change-Id: Idfef9896d484e254264150e718c5516a832a2ad4
| src/gromacs/tables/forcetable.cpp | diffblobblamehistory |