[gmx-users] (no subject)
Vidyalakshmi CM
vidyalakshmi.cm at gmail.com
Sun Jun 28 21:22:56 CEST 2015
Hi,
You may use the mdp files from the tutorial
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/
(It has topologies for energy minimzation, nvt and npt simulations and md
simulations run).
Regards,
C.M.Vidyalakshmi
On Sun, Jun 28, 2015 at 8:19 PM, masoud aliyar <masoud.aliyar at gmail.com>
wrote:
> Hello dear friends
>
> I want to simulate a Ligand-Protein complex in GROMACS by using amber
> forcefield
> <
> https://www.google.com/search?q=forcefield&newwindow=1&sa=X&biw=1366&bih=657&tbm=isch&tbo=u&source=univ&ei=WEaQVYH_AoWdsgH06q6ICg&ved=0CE4QsAQ
> >
> and need essential MDP files. Can anyone provide me that files?
> --
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