Hi Fred,
Have you tried
http://www.charmm-gui.org/ ? I think this is the easiest way to walk
through setting up input files, and you can have it generate input files
for several different programs.
Cheers,
Alex
On Tue, Aug 4, 2020 at 4:07 AM Fred Vellieux
wrote:
> Hello,
>
> I need to perform
Hi.
You can try namd (https://www.ks.uiuc.edu/Research/namd/) It Is free and
there are good tutorials available. HiH
El mar., 4 de agosto de 2020 3:07, Fred Vellieux <
frederic.velli...@lf1.cuni.cz> escribió:
> Hello,
>
> I need to perform some MD calculations and then trajectories of some
>
