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
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
> S. Ramaswamy
> Department of Biochemistry.
> University of Iowa.
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