[gmx-users] REMD - low temperature ranges

Tomek Wlodarski tomek.wlodarski at gmail.com
Fri Apr 27 14:59:39 CEST 2012


Hi,

I have notice that quite often people in REMD simulation use replicas in
lower than 300K temp.
Using for example temperature ranges from 250 to 450K
I am wondering what is the purpose of those replicas.
I have limited computational resources and I am wondering if for studing
175 aa protein is better to start from 250K and up to 350 K or choose from
300-400K (just an example)
Thanks!
Best!

tomek
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