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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