[gmx-users] Temperature of protein-ligand systems

[Jin Zhang]

Hi,

I think it depends on the purpose of your simulation.
If you want to simulate an in vivo environment, then you may use 310 K, for
example.


2014-05-18 12:00 GMT+02:00 <
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>    1. Temperature of protein-ligand systems (Jacob Babinec)
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> Message: 1
> Date: Sun, 18 May 2014 05:25:13 -0400
> From: "Jacob Babinec" <jsb332 at drexel.edu>
> To: gromacs.org_gmx-users at maillist.sys.kth.se
> Subject: [gmx-users] Temperature of protein-ligand systems
> Message-ID: <fcccd8bd5a60d.53784439 at drexel.edu>
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> Dear Gromacs users,
>
> I have been debating about what temperature I should use for my
> protein-ligand simulation. I have seen majority of people in the literature
> use 300 K; however, this confuses me because 310 K is body temperature. Can
> anybody lead me in the right direction?
>
>
> Thank you very much,
>
>
> Jacob Babinec
>
>
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