[gmx-users] Accelerated MD

[Patrick Fuchs]

Hi Doug,
I recently read a good review on ABF 
http://pubs.acs.org/doi/abs/10.1021/jp506633n. It's focused on ABF but 
there's a section which compares ABF to other techniques.
While I'm at it, are there any plans from gromacs devs to implement ABF 
in gromacs?
Best,

Patrick

Le 20/10/2014 22:33, Douglas Houston a écrit :
> Hi all,
>
> Can anyone recommend a book or (preferably) review article summarising
> the various accelerated MD methods commonly used in protein/peptide
> simulation these days? e.g. ABF, PLUMED, REMD, aMD etc. etc. I can read
> about each individually but I could use a comprehensive but concise
> comparison of their pros/cons and most popular applications.
>
> cheers,
> Doug
>
>
> _____________________________________________________
> Dr. Douglas R. Houston
> Lecturer
> Institute of Structural and Molecular Biology
> Room 3.23, Michael Swann Building
> King's Buildings
> University of Edinburgh
> Edinburgh, EH9 3JR, UK
> Tel. 0131 650 7358
> http://tinyurl.com/douglasrhouston
>
>
>

-- 
_______________________________________________________________
Patrick FUCHS
Dynamique des membranes et trafic intracellulaire
Institut Jacques Monod, CNRS UMR 7592, Université Paris Diderot
Bâtiment Buffon, 15 rue Hélène Brion, 75013 Paris
Tel :  +33 (0)1 57 27 80 05 - Fax : +33 (0)1 57 27 81 35
E-mail address: patrick.fuchs at univ-paris-diderot.fr
Web Site: http://www.dsimb.inserm.fr/~fuchs