subject:"\[gmx\-users\] Comparing various MD packages"

Re: [gmx-users] Comparing various MD packages

2015-08-27 Thread Mark Abraham

Hi, On Tue, Aug 25, 2015 at 8:16 PM Sabyasachi Sahoo ssahoo.i...@gmail.com wrote: Hello all, I am interested in comparing various MD packages like LAMMPS, GROMACS, DESMOND, NWChem, RedMD. I was looking through literature to find any relevant papers regarding the same and found a paper or two

[gmx-users] Comparing various MD packages

2015-08-25 Thread Sabyasachi Sahoo

Hello all, I am interested in comparing various MD packages like LAMMPS, GROMACS, DESMOND, NWChem, RedMD. I was looking through literature to find any relevant papers regarding the same and found a paper or two that do so. But they used different set of bench-marking problem sets, and no single