[gmx-users] General amber force field in GROMACS

[Justin A. Lemkul]

On 5/11/12 3:54 PM, Milinda Samaraweera wrote:
>
> Hi Guys
>
> Could some one please let me know how to convert general amber force field bond
> force constents to GROMACS bong function 1 type.
>

Bond type 1 is a simple harmonic bond.  You need an equilibrium length and force 
constant in appropriate units, per Table 5.5 of the manual.  Likely a simple 
unit conversion is all that is necessary, depending on the source of your 
parameters.

-Justin

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Justin A. Lemkul, Ph.D.
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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