[gmx-users] problem in g_confrms

Mark Abraham Mark.Abraham at anu.edu.au
Tue Oct 23 16:40:09 CEST 2007

harpreet singh wrote:
> Dear sir,
> I am trying to fit two confomations of a protein using g_confrms 
> command. The program  is giving the result but when I am trying to use 
> two different proteins it is giving the following error.
> command: g_confrms -f1 1prg.pdb -f2 speptide.pdb -o fit.pdb
> -------
> Then it asked to "Select group from first structure" and "Select group 
> from second structure", then I gave "0" (System) for both.
> At the end it has shown the following error:
> "-------------------------------------------------------
> Program g_confrms, VERSION 3.3.1
> Source code file: gmx_confrms.c, line: 467
> Fatal error:
> You selected groups with differen number of atoms.
> -------------------------------------------------------"
> While in the manual it is mentioned that we can use PDB files with 
> different atoms.

Suppose I have a set of 4 atoms and a set of 3 atoms. How would you like 
them to be superposed?


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