[gmx-users] Best force Field for Protein

Justin Lemkul jalemkul at vt.edu
Wed Nov 21 00:31:56 CET 2018

On 11/19/18 8:52 PM, Kovalskyy, Dmytro wrote:
> Justn,
>> Then there are force fields that do better than others, but
>> the choice must be yours based on a thorough review of available
>> literature;
> 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.
Assistant Professor
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


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