[gmx-users] g_chi-like analysis for nucleic acid residues

[sbowerma]

Hello all,

I am currently looking at the g_chi analysis tool.  I would like to create a
time distribution of dihedral angle values for a dna-protein system, with
the end-goal of using this distribution in a mutual information calculation. 
Unfortunately, I see that the g_chi tool is limited to only amino acid
residue dihedrals, and the dna-protein interactions are vital to my
interests.  I have done a search for a work around to this issue that has
(so far) been unfruitful.  Now I am coming to the GROMACS community to see
if anyone can point me to a tool of this kind to save me the headache of
trying to alter the current one.  I am already aware that ptraj in AMBER can
do a similar task (which is my current venue of attack), but it requires
(either by script or user "hand-entry") a list of all dihedrals of interest
(I will be doing this analysis on many more than one trajectory and one
system configuration!).  Thanks in advance!

Sam B.

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