Hello all
I am using H-bondig facility for protein DNA complex.
My script is as follows:
trajin 1sa3_mono_prod1.mdcrd
trajin 1sa3_mono_prod2.mdcrd
donor mask :6.N7
acceptor SER OG HG
hbond distance 3.5 angle 120.0 nosort time 1.0 series hbond
I am not getting any output file only getting
PTRAJ: Successfully read in 4000 sets and processed 4000 sets.
Dumping accumulated results (if any)
HBOND SUMMARY:
Data was saved to series hbond,
data was not sorted, intra-residue interactions are NOT included,
Distance cutoff is 3.50 angstroms, angle cutoff is 120.00 degrees
Hydrogen bond information dumped for occupancies > 0.00
Dumping schematic of time series after each h-bond, key follows:
| . - o x * . |
0-5% 5-20% 20-40% 40-60% 60-80% 80-95% 95-100% occupancy
DONOR ACCEPTORH ACCEPTOR
atom# :res.atom atom# :res.atom atom# :res.atom %occupied distance
angle lifetime maxocc
| 166 :6.N7 | 2608 :145.HG 2607 :145.OG | 90.03 2.868 ( 0.15)
26.29 (13.75) 13.7 ( 18.7) 141
|.....***......*..*.*o-******..****..*****.*.******|
---------------- ---------------------------------
-------------------------------------
What is wrong here I am not getting.
Should i got any output file or not?
Waiting for suggestion
With regard
Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH
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Received on Tue Sep 28 2010 - 06:00:04 PDT
