(The last mail had some error.)
I applied bondbydistance command to a molecule many times independently
with default cut-off value. In the first trial leap recognised 279 (111 non
H-H) potential bond pairs. In the second it recognised 277 (109 non H-H)
and in the third trial it was 278 (110 non H-H).
Shouldn't the number of potential bond pairs be the same in each trial.
What may the origin of the difference in the number of non-H-H potential
bond pairs.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jan 06 2014 - 10:00:04 PST
