Mark Abraham wrote:
Eddie Mende wrote:
Greetings
I am trying to generate a topology file, and
need to add the phosphate ion in my pdb
How to do this?
Check out http://wiki.gromacs.org/index.php/Parameterization and maybe
http://wiki.gromacs.org/index.php/Exotic_Species
there is a phosphate ion topology in the share/gromacs/top directory.
h2po4.itp
Generating a sensible topology is much harder than generating a starting
structure.
Mark
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David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
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