Lam Yan, Sonia wrote:
Hi everyone!
I know there are some programs/servers such as PRODRG which can help us
to generate the itp files for specific ligand.
However, the system now I am working on is Gromacs OPLSAA, I wonder if
there are other programs besides PRODRG which
can generate the topology/itp files of my ligand in all-atom system?
And the ligand I am working with is acetyl-phosphate.
There's some good advice here...
http://wiki.gromacs.org/index.php/Parameterization
Mark
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