Dear all, here it is the output of a ptraj dihedral analysis on the same
system, for both ASCII and BINARY trajectory. Starting from frame 14,
the values start to diverge significantly.
BINARY ASCII
1.00 -147.958668 | 1.00 -147.942612
2.00 -72.048594 | 2.00 -72.067980
3.00 18.534202 | 3.00 18.516501
4.00 82.936517 | 4.00 82.915310
5.00 141.777751 | 5.00 141.796965
6.00 26.969903 | 6.00 26.895879
7.00 -67.860564 | 7.00 -67.880553
8.00 -130.117973 | 8.00 -130.058275
9.00 -83.235696 | 9.00 -83.207713
10.00 -44.748722 | 10.00 -44.763429
11.00 -134.239920 | 11.00 -134.211415
12.00 -135.534592 | 12.00 -135.964199
13.00 -120.563889 | 13.00 -120.421923
14.00 148.857056 | 14.00 155.068374
15.00 145.166697 | 15.00 179.217652
16.00 123.163784 | 16.00 -127.158826
17.00 163.278049 | 17.00 -127.651488
18.00 169.775862 | 18.00 -116.616523
19.00 170.453577 | 19.00 -118.063325
20.00 -168.840722 | 20.00 -146.686249
I hope that someone can help someway..
Lorenzo
--
=======================================
Lorenzo Gontrani
Research associate of EDXD group
University of Rome "La Sapienza"
GSM +39 338 7615798
WORK +39 06 49693273
Email l DOT gontrani AT caspur DOT it
Webpage: http://webcaminiti/gontrani.html
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Received on Wed Jun 01 2011 - 03:30:04 PDT
