[gmx-users] Dihedral angles

Mykola Rozhok nikaustr at gmail.com
Sun Sep 16 18:44:59 CEST 2007


Hello!

I have a .pdb structure:

H2N-CH2-COOH

      H
       |
H-N-C-C-O-H
    |  |   "
   H H O

and want to calculate 2 dihedral angles:

H-N-C-C

and

N-C-C-O

I have a .trr file and a .tpr file. Can I calculate those two dihedrals as a
function of time using GROMACS?

Thank you very much in advance!

Yours Sincerely,
Nikaustr
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070916/2ed73d2c/attachment.html>


More information about the gromacs.org_gmx-users mailing list