Swap code does not do PBC correctly - Redmine #2245
The swap (computational electrophysiology) code uses the initial box instead of the current box to correct distances for PBC. For checking distance to a channel, this likely went unnoticed if the channel doesn’t cross the periodic boundary. For making molecules whole this would certainly be an issue, but maybe only single atomic ions have been used.
(from redmine: issue id 2245, created on 2017-09-08 by berkhess, closed on 2017-09-12)
- Changesets:
- Revision 149c6633 by Berk Hess on 2017-09-11T13:51:09Z:
Fix PBC bugs in the swap code
Fixes #2245
Change-Id: I90e2bed71a2499c63794e420dca383d91e6fc86c