[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

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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