[gmx-users] add Argon to a force field?

[Justin A. Lemkul]

Amir Abbasi wrote:
>    Hi!
> I want to simulate an RNA molecule.
> I have the .pdb file of that.
> I want to create an Argon wall and make a hole on it to pull my molecule 
> through it.
> Argon defined in OPLS/AA force field. but it has not nucleic acids.
> how can i define the argon in other force fields?
> 

http://www.gromacs.org/Documentation/How-tos/Parameterization
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field

Simulations of argon have been done for many years.  You may be able to find 
suitable parameters by doing a literature search.

-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

========================================