Thomas Cheatham III wrote:
>> I use ptraj to do hbond analysis for a trajectory of 82ns, the total frame is 820, the output is as follows,
>> atom# :res.atom atom# :res.atom atom# :res.atom %occupied distance angle lifetime maxocc
>> | 936 :60.OE2 | 1190 :74.HH12 1188 :74.NH1 | 97.32 2.776 ( 0.08) 15.53 ( 8.03) 38.0 ( 47.1) 210 |****.....**.*...
>> .*...........*..*..*.*..*...*.**.|
>> .....
>> I total number of |****.....**.*....*...........*..*..*.*..*...*.**.|is 49, I don't understand why it is 49. What is the time interval?
>>
>
> The graphics are just a visual approximation; the entire time series is
> not dumped but is condensed into the ~49 characters you see. Essentially
> that hbond is nearly always formed...
>
> --tec3
>
>
Dear Thomas
Is there a way to dump the entire time series, not just the graphical
approximation??
Many thanks
Marcin
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jan 11 2010 - 13:30:02 PST
