If they are not among the user contributions, and if they are not
published somewhere in the literature, you will have to derive them
yourself (an advanced topic!). See here:
http://wiki.gromacs.org/index.php/Parameterization
And this one is probably applicable in your case, as well:
http://wiki.gromacs.org/index.php/Exotic_Species
-Justin
Rotem Sertchook wrote:
Dear All,
I'm looking for gromacs parameters for heme bound to oxygen molecule
. I will appreciate getting the parameters or any tip considering the
best way to create them.
Thank you
Rotem Sertchook
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--
Justin A. Lemkul
Graduate Research Assistant
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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