[gmx-users] problem in g_confrms

harpreet singh harpreetsingh05 at hotmail.com
Tue Oct 23 11:56:57 CEST 2007

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.

Kindly help me regarding this.

Harpreet Singh

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