The Verlet list buffer estimation uses incorrect masses for constrained particles and vsites with BD and bd\_fric >0. This results in incorrect buffer sizes and usually a too small buffer for typical atomistic simulations with constraints. *(from redmine: issue id 2613, created on 2018-08-16 by berkhess, closed on 2018-08-21)* * Changesets: * Revision de5aaa572243889fc61f4ca45303a1b36503bedb by Berk Hess on 2018-08-20T10:02:32Z: ``` Fix Verlet buffer estimate with BD With BD and bd_fric>0, the masses used for estimating the pairlist buffer based on estimated motion of constrained atoms and virtual sites were, incorrectly, the actual masses instead of 1. Fixes #2613 Change-Id: I5378c5f5566ccda28554b5a6c7d7c403228aa794 ```