Re: [gmx-users] Transition matrix generation

2015-01-13 Thread Adelman, Joshua Lev
On Jan 13, 2015, at 1:27 AM, pratibha kapoor wrote: Hi, I have done MD simulations on my system and have generated clusters of my interest. Now, I would like to look at the transitions between different clusters and henceforth the most probable pathway. Is there any inbuild software that can do

Re: [gmx-users] MD workstation for Gromacs

2014-10-27 Thread Adelman, Joshua Lev
On Oct 27, 2014, at 3:14 AM, Carsten Kutzner wrote: Hi, On 27 Oct 2014, at 07:11, Mohammad Hossein Borghei mh.borg...@gmail.commailto:mh.borg...@gmail.com wrote: Thank you Szilárd, So I would be really thankful if you could tell me which configuration is the best: 2x GTX 980 2x GTX 780 Ti