On 6/9/12 10:30 AM, James Starlight wrote:
Justin,
I have also question about inclussion of the part of the topology file wich was
done by the external server ( e.g by ATB) in the topology of my molecule.
E.g I'm working with GFP wich include non-standart chromophore group wich is
covalent bonded to the all protein. So I've extracted chromophore only from my
GFP and done it parametrisation by ATB. What is the easiliest way to include
this new topology as well as part of the molecule back to the whole GFP?
The only way to do it:
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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