[gmx-users] simulation with two different force fields

Justin Lemkul jalemkul at vt.edu
Sat Nov 17 16:21:11 CET 2012

On 11/17/12 10:19 AM, shahab shariati wrote:
> Dear gromacs users
> Can I use two different force fields for a system with 2 components (dna
> and carbon nano tube)?

No.  Mixing and matching force fields (even if syntactically possible in the 
topology) invalidates the force field models.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list