Umesh Ghoshdastider wrote:
Hi all,
Can anyone provide me with the MARTINI parameters for
graphenes/nanotubes ? I read a few papers on that but parameters are
missing.
Your best bet would be to contact the authors of those papers directly.
Also are you aware of any program/tool to parametrize new molecules in
MARTINI or GROMACS?
It would be quite nice if there was such a magic tool for all force fields.
Unfortunately, parameterization is far more laborious than just executing some
command. Read the primary MARTINI literature for the goals and procedures of
parameterization.
-Justin
Thanks,
Umesh
--
========================================
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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