Edvin Erdtman wrote:
Hi
To the Amber force field I want to add a new residue, which is connected
covalently to another residue in a protein (similar to a CYS-CYS bridge). Can
I define this bond somewhere in the force field files (rtp, atp...) so that
the inter-residue bond can be generated by pdb2gmx? Or do I have to do it
manually in the top-file?
Please see the following:
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field
-Justin
/Edvin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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