[gmx-users] Heme-O2 parameters

[Justin A. Lemkul]

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
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before 
> posting!
> Please don't post (un)subscribe requests to the list. Use thewww 
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>

-- 
========================================

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

========================================