[gmx-users] dihedral as a function of time?

[David L. Bostick]

Hello,

I have used g_sgangle to monitor dihedrals successfully.  You must be sure
to have a correctly constructed index file..  that is 2 entries so that it
can measure the angle between 2 planes.  for example.. for a dihedral with
indices  1-2-3-4

[ dihed1_set_a ]
1 2 3
[ dihed1_set_b ]
2 4 3

if the result gives you results opposite from what you'd expect, change
dihed1_set_b to 

[ dihed1_set_b ]
2 3 4

Davied

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David Bostick					Office: 262 Venable Hall
Dept. of Physics and Astronomy			Phone:  (919)962-0165 
Program in Molecular and Cellular Biophysics 
UNC-Chapel Hill					
CB #3255 Phillips Hall				dbostick at physics.unc.edu	
Chapel Hill, NC 27599	           		http://www.unc.edu/~dbostick	
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On Fri, 14 Dec 2001 nicolis at guideo.fr wrote:

> 
> Hello,
> is there a way to monitor a dihedral angle as a function of time?
> I tried g_angle, g_dih, g_sgangle but none of the options seems to compute it.
> Thank you,
> Yiannis
> 
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