[gmx-users] problem in g_confrms

[harpreet singh]

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.

Regards
Harpreet Singh



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