[gmx-users] fitting

David L. Bostick dbostick at physics.unc.edu
Thu May 23 21:24:54 CEST 2002

use grompp to create a tpr from the reference gro or pdb file. Then give
this as input to g_rms.


David Bostick					Office: 262 Venable Hall
Dept. of Physics and Astronomy			Phone:  (919)962-0165 
Program in Molecular and Cellular Biophysics 
UNC-Chapel Hill					
CB #3255 Phillips Hall				dbostick at physics.unc.edu	
Chapel Hill, NC 27599	           		http://www.unc.edu/~dbostick	

On Thu, 23 May 2002 rams at poori.biochem.uiowa.edu wrote:

> Hello All,
> This is driving me crazy.
> I have a pdb file that I generate from a gro file of a protein.
> I have a 1ns trr file and the tpr file from there.
> I want to fit all the structures from the tpr file on to the pdb file I
> already have.
> It says in the manual that you can use g_rms or trjconv to fit to a
> reference structure.  How do i say what the reference structure is
> thanks.
> Rams.
> -- 
> S. Ramaswamy
> Department of Biochemistry.
> University of Iowa.
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list