| commit | 7cfab5a824150429d10b45504b16e75d5ee88c85 | |
| author | Berk Hess <hess@kth.se> | |
| Tue, 5 Apr 2016 11:49:41 +0000 (5 13:49 +0200) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Tue, 19 Apr 2016 00:08:04 +0000 (19 02:08 +0200) | ||
| tree | 957358ad3bcbe9c69a31465feae21571742e2c40 | treesnapshot (tar.gz zip) |
| parent | fa1360610d6fcf7eb263ce1181d9954074fd5151 | commitdiff |
Fix gmx hbond group overlap check
gmx hbond does not support partially overlapping analysis groups.
The check in the code was broken and never caught this, resulting
incorrect output that might OK at first sight.
Also corrected bitmasks = enums that (intentionally?) seemed to give
correct results by not using non power of 2 enum index entries.
Change-Id: Ic1643f1d552e35d35873885a3cdf49f19ec66ae3
gmx hbond does not support partially overlapping analysis groups.
The check in the code was broken and never caught this, resulting
incorrect output that might OK at first sight.
Also corrected bitmasks = enums that (intentionally?) seemed to give
correct results by not using non power of 2 enum index entries.
Change-Id: Ic1643f1d552e35d35873885a3cdf49f19ec66ae3
| src/gromacs/gmxana/gmx_hbond.cpp | diffblobblamehistory |