[gmx-users] Best force Field for Protein
jalemkul at vt.edu
Wed Nov 21 00:31:56 CET 2018
On 11/19/18 8:52 PM, Kovalskyy, Dmytro wrote:
>> Then there are force fields that do better than others, but
>> the choice must be yours based on a thorough review of available
> Can you provide a list of FFs more suitable for folding and IDP simulations?
This is a complicated field. The force field you use is the most
important choice you make, so it's worth the time investigating the
literature yourself. You can easily turn up plenty of references with a
simple Google search for any of the major force field families with
"intrinsically disordered" or "amyloid."
Justin A. Lemkul, Ph.D.
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
More information about the gromacs.org_gmx-users