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

Justin A. Lemkul jalemkul at vt.edu
Thu Aug 4 15:54:31 CEST 2011

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?


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



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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