Re: [gmx-users] GPU configuration suggestions

Hi Nikhil, please take a look at http://onlinelibrary.wiley.com/doi/10.1002/jcc.24030/full A great deal of your questions are answered there! Best, Carsten > On 22 Mar 2016, at 06:52, Nikhil Maroli wrote: > > Dear all, > > we would like to purchase one GPU enabled

[gmx-users] GPU configuration suggestions

Dear all, we would like to purchase one GPU enabled workstation system for molecular dynamics work,we will be running mainly GROMACS, NAMD and CHARMM (older version which do not support GPU) i welcome suggestions regarding the below configurations kindly provide your valued suggestions Like