[gmx-users] g_rdf (lyzozyme tutorial)
d_aghaie at yahoo.com
Tue Jun 12 11:16:18 CEST 2012
Dear Gromacs users
Today I encountered a new error.
I want to calculte RDF for my protein's (alpha-c) dissolved in water.
when I use the command line:
g_rdf -f traj.xtc -s topol.tpr -o rdf.xvg
and I choose 3 for (C-alpha) for both the reference and target groups, every thing goes well and I will have the rdf plot.
Now if I add option (-xy) to use the only x and y components, and then I choose my two groups, the program does not do anything and it stops !!
This is right even for the lyzozyme protein in Justin's tutorial.
Do you have any idea on this?
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