[gmx-users] martini nanotube parameters
Justin A. Lemkul
jalemkul at vt.edu
Tue Jun 15 13:28:24 CEST 2010
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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