Pairlist buffer set incorrectly with BD
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.
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.