[gmx-users] OPLS-AA forcefield

[Erik Marklund]

Justin A. Lemkul skrev:
>
>
> 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.
>
> -Justin
I think that's incorrect. The 'L' in OPLS stands for 'Liquid'. The 
trailing /L was added when some parameters were reparameteriezd 
(dihedrals I think) at some point, but I don't know what it stands for.

Erik
>
>> Thank you
>>
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-- 
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Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
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