[gmx-users] phosphated residue???

Justin Lemkul jalemkul at vt.edu
Wed Jul 18 05:15:38 CEST 2007

> Dear all      There is a phosphate ser in my protein, so when pdb2gmx, the
> fatal error is "atom p is not found"
>        How to deal  with this problem? how to add the topology file of
> phosphate ion to residue database?

You'll need the Gromos96 43a1p force field parameters.  Check out
user-contributed force fields off of the main Gromacs site and you should find
it.  Also refer to http://wiki.gromacs.org/index.php/GROMOS



Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu
(540) 231-9080


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