[gmx-users] REMD - low temperature ranges

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


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)

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120427/86aad2a9/attachment.html>

More information about the gromacs.org_gmx-users mailing list