| commit | 8a67cc429352f5722f8bede6dcf9426e15d57e29 | |
| author | Erik Lindahl <erik@kth.se> | |
| Mon, 1 Jan 2018 16:53:00 +0000 (1 17:53 +0100) | ||
| committer | David van der Spoel <spoel@xray.bmc.uu.se> | |
| Mon, 1 Jan 2018 20:49:26 +0000 (1 21:49 +0100) | ||
| tree | 65b780d2091c96c64153a06124a11d69364e7e6e | treesnapshot (tar.gz zip) |
| parent | 8b00fcfe1d56f6344955005f5b85c7bde2700d44 | commitdiff |
Fix gmx density for non-mass calculations
Implemented fix proposed by Klark Chen and Reid
Van Lehn so that we always use mass and never
charge/electron density to center systems.
Fixes #2230.
Change-Id: Id49741bd44349d43a27b5f20f4e498d2fd4ba1f9
Implemented fix proposed by Klark Chen and Reid
Van Lehn so that we always use mass and never
charge/electron density to center systems.
Fixes #2230.
Change-Id: Id49741bd44349d43a27b5f20f4e498d2fd4ba1f9
| src/gromacs/gmxana/gmx_density.cpp | diffblobblamehistory |