ibi2010...@iiita.ac.in wrote:
Hello,
I got all confused.So i started with the beginnning.i generated topology
for my protein Streptavidin and generated topology for my ligand using
prodrg2.5 server.
I am getting error at step editconf i.e.Fatal error:Something is wrong in
the coordinate formatting of file conf.gro.
Any suggestions??I made necessary changes to topol.top and conf.gro to
merge ligand topology.
Something you did was wrong, but it's hard to say. The problem is with the
coordinate file, so when you merged the protein and ligand, you broke the format
somehow. There are many potential problems. Please work through the
protein-ligand tutorial for a guide on how to properly deal with such systems.
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex/index.html
-Justin
--
========================================
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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