[AMBER] bondbydiatance

From: Sourav Purohit <sour000.gmail.com>
Date: Mon, 6 Jan 2014 23:12:57 +0530

(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.
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Received on Mon Jan 06 2014 - 10:00:04 PST
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