Bug #2558
gmx polystat mis-uses nmol
Description
nmol is actually the number of entries in the molind array, which is one more than the number of molecules. Some of the uses of nmol are thus wrong by one.
History
#1 Updated by Mark Abraham over 2 years ago
- Status changed from New to Rejected
Ah no, nmol wasn't being postincremented after a loop. BlockRanges will do a better job of this in master