Temperature rescaling vs. reassignment

From: Luis Agullo (LAB) (lab_at_lagullo.com)
Date: Tue Sep 15 2009 - 09:26:48 CDT


I am completely confused about the difference between temperature
reassignment and temperature rescaling. I have read NAMD guide and some
questions about that in this e-mail list (e.g.:
www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/6401.html), but I am
very confused yet (probably because I am a newby in MD). Can anybody
clarify me the basic difference between these two concepts? I want to heat
my protein smoothly from 0 to 310 and I suppose these parameters can help
me to do that.


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