[gmx-users] Fwd: help-how to define a new residue in gromacs ?

[Tsjerk Wassenaar]

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Tsjerk


---------- Forwarded message ----------
From: 郭建路 <zimoguojianlu at 163.com>
Date: 2009/8/4
Subject: help-how to define a new residue in gromacs ?
To: tsjerkw <tsjerkw at gmail.com>


HI Tsjerk:

can you help me ?
My problem is How to define new residue in GROMACS?

i have made a 3-d structure model for a protein based on a template
protein，which has a heme group.

   befor runing the gromacs molecular simulation,i must define the
heme group as a new residue,How to define new residue in GROMACS?

thanks !


                    yours


                   guojianlu



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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623