Hi
when calculating H-bonds with ptraj, what type of error is given in
the bracket of distances and angles of H-bonds; (std deviation or
error )? i mean how is it calculated. Could i give it as error in
results?
| 83 :3.N3 | 684 :22.H1 683 :22.N1 | 99.99 2.955 (
0.09) 15.58 ( 8.52) 9999.5 ( 204.5) 10204
|..................................................|
Also, in X-H---A, is the given distance d(H---A) or d(X---A)?
could i take hbond distance upto 3.5 angstrom ?
Thanking you
mary
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Received on Wed Apr 05 2017 - 04:00:02 PDT
