[gmx-users] OPLS-AA forcefield

Justin A. Lemkul jalemkul at vt.edu
Thu May 27 21:16:35 CEST 2010

you zou wrote:
> Hi everyone,
> I have one simple question. I don't know is there any different 
> between OPLS-AA forcefield and OPLS-AA/L forcefield? I think these are 
> different but when I use pdb2gmx tool there is no OPLS-AA forcefield to 
> choose.

There is no difference.  The presence of "/L" simply indicates it is for liquid 
simulations.  I am unaware of a vacuum or gas phase OPLS-AA, certainly not 
within Gromacs.


> Thank you
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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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