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

[Josip Lovrić]

If I understood you correctly, I think you are looking for gmx gangle. It
is part of 5.0 version. You need to install new version.
Check hear http://www.gromacs.org/Documentation/How-tos/Tool_Changes_for_5.0


2014-04-14 23:09 GMT+02:00 sbowerma <sbowerma at hawk.iit.edu>:

> Hi Justin,
>
> Thanks for your response.  I did see the g_angle tool, but doesn't it have
> a
> similar limitation as AMBER's ptraj?  From what I can see, I would still
> need to script out an index file for every single dihedral atom set of
> interest (which is all of them and I have over 1k residues).  While this is
> of course do-able, I was looking for more of an "intelligent" tool, like
> g_chi, that already knows dihedral definitions after you pass it a pdb full
> of residue names (or something equivalent).  As I mentioned, I will be
> doing
> this analysis for several different systems, so I am just trying to figure
> out what tools are worth my time developing and what tools are already
> being
> used.  Thanks again!
>
> Sam
>
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