[gmx-users] download GROMOS54a6oxy

[Patrick Fuchs]

Hi Tushar,
all parameters from GROMOS 53A6_OXY along with other improvements have 
been merged into a new parameter set called 2016H66 (see 
https://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b00187).
Philippe Hünenberger put some files for GROMACS on his website: 
http://www.csms.ethz.ch/files_and_links/GROMOS/2016H66.html.
For the time being, the parameters within these files are only available 
for 62 organic molecules. Some tests are currently being conducted for 
proteins, but the parameters are not ready yet.
Note also, that if you want to use the reaction field (as used in the 
paper cited above), you'll have to use GROMACS 4.0.7 (or lower). If you 
want to use GROMACS 4.6.6 (or higher), you'll have to use nstlist = 2 
(not more than 2!), see https://redmine.gromacs.org/issues/1400. We are 
actually testing some new PME parameters with this set, and we should be 
able to come with new recommandations pretty soon.
Best,

Patrick

Le 08/12/2018 à 11:55, Dr Tushar Ranjan Moharana a écrit :
> Hi all,
>
> I wish to use GROMOS54a6oxy forcefield parameterized by Horta et. al.
> However, I am unable to find any link to download the same. It will be a
> great help if any one send me the link or the forcefield.
>
> Thanks a lot.
> Tushar