[gmx-users] CG Mapping section for g_fg2cg

[Thomas Schmidt]

Dear all,

how can I create the mapping section for "g_fg2cg" in the atomistic
*.itp file? The handout from the Coarse Graining Workshop 2009 says that
pdb2gmx has this ability but I can't find it:
http://www.csc.fi/english/research/sciences/chemistry/courses/cg-2009/CGWS_Tutorial.pdf/download.

By running pdb2gmx of both, GROMACS version 4 and the reverse-mapping
GROMACS (including g_fg2cg), I didn't get any result similar to this
mapping section in my output files.

Maybe now there's also another way to setup a CG model for the MARTINI
force field. (?)

Many thanks for your answers.

Nice greetings,
Thomas

-- 
Thomas H. Schmidt, PhD student
Computational Structural Biology
Chair of Life Science Informatics, B-IT
LIMES-Institute, University of Bonn
Dahlmannstrasse 2, D-53113 Bonn, Germany

Phone: +49-(0)228-2699 323
Fax: +49-(0)228-2699 341
http://www.csb.bit.uni-bonn.de