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

Carsten Kutzner ckutzne at gwdg.de
Mon Jul 7 10:37:51 CEST 2014

Dear Manu Vajpai,

On 07 Jul 2014, at 07:39, Manu Vajpai <manuvajpai at gmail.com> wrote:

> 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?
You can use flooding in Gromacs 3.x, 4.x and 5 - it’s still there :)


> Regards,
> Manu Vajpai,
> PhD Candidate,
> IIT Kanpur
> India
> -- 
> Gromacs Users mailing list
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.

Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302

More information about the gromacs.org_gmx-users mailing list