AW: [gmx-users] How to calculate dihedral angle ??

[serdar durdagi]

You can use vmd for dihedral angle vs time plots. Download *.gro and *.xtc files and use label option in vmd for dihedral angles.
 
serdar


--- Chih-Ying Lin <chihying2008 at gmail.com> schrieb am Mo, 30.6.2008:

Von: Chih-Ying Lin <chihying2008 at gmail.com>
Betreff: [gmx-users] How to calculate dihedral angle ??
An: gmx-users at gromacs.org
Datum: Montag, 30. Juni 2008, 19:32



HI
g_chi is designed to help user to calculate the dihedral angles.

I have an organic compound and as the manual describes that .gro ,  .trr  and ssdump.dat are the required input files to compute and collect the dihedral angles with time.


For my case, .gro and .trr files are ready. 
How to prepare for ssdump.dat?


Also, how do i tell gromacs the calculate the specific dihedral angles with time for me??
I did not fully understand the manual's description.

thank you

Lin


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