[gmx-users] g_chi -all
alinares86 at gmail.com
Sat Jun 9 00:23:06 CEST 2007
I'm trying to plot the chi angle of a specific a.a. residue as a function of
time. To do this, I'm trying to use the -all flag and I'm having trouble
generating any output files. Prior to trying -all, I successfully created
chi.log, order.xvg and dihcorr.xvg files. The current command I am using
looks like this:
>>> g_chi -s (path to gro file) -f (path to trr file) -all <<<
After running this: 1) the prompt line says "warning: not all dihedrals
found" 2) there are no output files.
First, tow do I get -all to work? Next, how can I get the chi v. time plot
of an individual residue?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users