[gmx-users] martini nanotube parameters

[Justin A. Lemkul]

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
> 

-- 
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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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