[gmx-users] Implementations of/similar to accelerated MD (aMD) in GROMACS

Manu Vajpai manuvajpai at gmail.com
Mon Jul 7 07:39:50 CEST 2014

Hi all,

I am interested in using accelerated MD or another method which allows me
to sample rare events without specifying collective variables beforehand.
The only solution that I have found for GROMACS so far is conformational
flooding, but I can't find a reference for its implementation in any
GROMACS version since 3.3. Is there any alternative method/implementation
which will allow me to reliably perform such simulations in GROMACS?

Manu Vajpai,
PhD Candidate,
IIT Kanpur

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