Volker Wirth wrote:
Hi Justin,
thanks a lot for your response! Of course my mail was a bit
"provocative", as I know that combination methods are state of the
art, used in many publications and leading to reasonable results.
(time scale eight months). Combining different force fields
(Berger/
Hi Justin,
thanks a lot for your response! Of course my mail was a bit
"provocative", as I know that combination methods are state of the
art, used in many publications and leading to reasonable results.
>> (time scale eight months). Combining different force fields
>> (Berger/GROMOS, Berger/OPLS
Volker Wirth wrote:
standard acyl chain parameters fail when they get too long. I think there
ref. for that is a Berendsen paper on hexadecane simulations, but I could be
wrong there. In any event, 'protein' parameters do not appear to
transfer directly to long acyl chains in a simple way and t
> standard acyl chain parameters fail when they get too long. I think there
> ref. for that is a Berendsen paper on hexadecane simulations, but I could be
> wrong there. In any event, 'protein' parameters do not appear to
> transfer directly to long acyl chains in a simple way and therefore your
>
Ok, thank you very much. However, with this combination I am not using all
atoms for the lipds, if I am right and my intention was using all atoms both
for the protein and the membrane.
Thank you very much for your help.
Best wishes,
Rebeca García.> Date: Tue, 5 Aug 2008 09:44:17 -0400> From: [E
Rebeca García Fandiño wrote:
Hello,
I would like to simulate a membrane + protein system using the OPLS
force field for both, the protein and the membrane. I have looked for a
previous equilibrated membrane simulated using the OPLS force field, but
I did not find it.
Please, does anybody kno
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