[gmx-users] [gmx-user] 300K vs 310K for molecular dynamic simulation

Quin K profiles.ke at gmail.com
Sat Dec 28 14:09:30 CET 2019


Hi

Which temperature should be used for molecular dynamic simulation of a
human protein?
If we used 300K would that give significantly different results from 310K
MD simulation?
Some argue that since human body temperature is around ~310K MD should be
done at 310K.
However I saw many papers that have used 300K for MD of human proteins.

Thanks
Regards.


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