[gmx-users] Ramachandran plot for non standar residues

[Rebeca García Fandiño]

Hello,
I am trying to calculate the Ramachandran plot for a molecules based on non-standar aminoacids, parametrized with the Gaff force field and simulated with Gromacs 4.0.7.  
When I try using g_rama -f trajectory.xtc -s topology.tpr -o rama.xvy 
I get: Found 0 phi-psi combinations.

I suppose the problem is the nomenclature of my atoms, since I don´t have any CA named atoms.

Is there any way to calculate g_rama for non-standar residues defining the atoms I need?

Thanks a lot for your help.

Best whishes, 

Rebeca Garcia
Santiago de Compostela University
Spain
 		 	   		  
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