[gmx-users] supervised MD in Gromacs?

Albert mailmd2011 at gmail.com
Tue Dec 8 11:01:51 CET 2015


I noticed that several paper successfully captured the process of ligand 
binding to a protein deep pocket in tens of ns time scale MD simulations 
without any biased. It is a really impressive an useful method.

I am just wondering can we do this in Gromacs?

Thanks a lot


More information about the gromacs.org_gmx-users mailing list