--
Sonali Dhindwal
--- On Sun, 21/3/10, sonali dhindwal <sonali11dhind...@yahoo.co.in> wrote:
From: sonali dhindwal <sonali11dhind...@yahoo.co.in>
Subject: query regarding pdb2gmx program for protein with metal and a ligand
To: mail...@gromacs.org
Date: Sunday, 21 March, 2010, 1:43 PM
Hello Sir/Madam,
I am new to Gromacs, and o want to run molecular dynamics study for analysis of
my modelled protein which consist of a Metal Mn and a Ligand in it.
But whenever I run the first step of generation of topology file through
pdb2gmx program, I am getting error msg that
Fatal error:
Residue 'MN' not found in residue topology database
So, the program fails, and I cant move forward.
I tried by deleting metal and ligand from my protein, then it is working, but I
have to consider Metal and ligand.
I searched on google also, regarding this error, but couldnt get through this
problem, so please help.
Thanks in advance.
Regards
--
Sonali
Dhindwal
Your Mail works best with the New Yahoo Optimized IE8. Get it NOW!.
Your Mail works best with the New Yahoo Optimized IE8. Get it NOW!
http://downloads.yahoo.com/in/internetexplorer/--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
