[gmx-users] How to let Gromacs run 60% faster..

Hello, I just bumped into the site www.yasara.org, who claims that their just released new MD algorithms are 60% faster then Gromacs. Actually they dont say 'Gromacs', but 'closest competitor', which I assume is Gromacs looking at the benchmark numbers. >From the numbers, I also saw that they s

Re: [gmx-users] protein domain separation

Hi Hazizian, > I have done md simulation of a 2-domain protein in water, > in 50 K but every > time I did it these domains are separated from each other, > and dont correct > when I do trjconv -pbc nojump, This also happened to me once, since it can be impossible to correct the trajectory wit