[AMBER] angle in h-bond analysis

From: mirage . <m.o.m.live.fr>
Date: Fri, 11 Mar 2011 14:10:20 +0000

Dear amber users,

I want ti calculate h-bond with cutoff= 30° ,
 with hbond distance 3.5 angle 30.0 out k1.out

in the result i found angle > 30!! is it correct?
 
HBOND SUMMARY:
output to file k1.out,
      data was sorted, intra-residue interactions are NOT included,
      Distance cutoff is 3.50 angstroms, angle cutoff is 30.00 degrees
      Hydrogen bond information dumped for occupancies > 0.00

        DONOR ACCEPTORH ACCEPTOR
  atom# :res.atom atom# :res.atom atom# :res.atom %occupied distance angle
| 147 :1.H50 | 6492 :2075.H2 6490 :2075.O | 100.00 2.705 ( 0.00) 90.03 ( 0.00)
| 147 :1.H50 | 6491 :2075.H1 6490 :2075.O | 100.00 2.705 ( 0.00) 149.11 ( 0.00)
| 147 :1.H50 | 5163 :1632.H2 5161 :1632.O | 100.00 3.473 ( 0.00) 116.92 ( 0.00)
| 147 :1.H50 | 5162 :1632.H1 5161 :1632.O | 100.00 3.473 ( 0.00) 66.64 ( 0.00)

Thanks for any help
                                               
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Received on Fri Mar 11 2011 - 06:30:03 PST
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