Dear AMBER forum,
I am interested in understanding the format of the prepi file as depicted below:
0 0 2
This is a remark line
molecule.res
SUS INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000
2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000
3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000
4 C2 ca M 3 2 1 1.540 111.208 180.000 -0.17826
5 C1 ca M 4 3 2 1.386 86.897 -162.979 -0.04968
6 H1 ha E 5 4 3 1.072 120.119 25.599 0.16937
7 C14 ca M 5 4 3 1.379 119.724 -154.668 -0.01913
etc
What does the first line 0 0 2 mean? Where can I find more information about this and other file types?
Regards,
Mike
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Received on Thu Feb 02 2006 - 06:10:05 PST
