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 <[EMAIL PROTECTED]> schrieb am Mo, 30.6.2008:
Von: Chih-Ying Lin <[EMAIL PROTECTED]>
Betreff: [gmx-users] How to calculate dihedral angle ??
An: gmx-users@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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