From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Feb 18 2014 - 02:59:07 CST
You should be familiar with molecular dynamics and namd before getting more
complex and do REMD. A good idea is to work through the tutorial, which will
also include replica exchange molecular dynamics simulations. Otherwise,
look at the example simulations downloadable on the namd homepage or explain
where exactly you're stucked or what you don't understand.
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag
von Boshra Moradi
Gesendet: Dienstag, 18. Februar 2014 09:09
Betreff: namd-l: REMD
I am beginner in namd.
I studied namd tutorial and have started an article .
I want to use sampling of protein with remd, but I can't.
I read user guide but it was indigestible for me.
I will appreciate very much if
anyone can give me any advice.
Thanks in advance,
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