[gmx-users] oligosaccharide parametrization

Peter I. Hansen pih at xbase.dk
Mon Jun 6 15:11:47 CEST 2005


I'm trying to setup an oligosaccharide for simulation in gromacs,
but it seems that in the parametrization of glucose some data are
For example, if I want to setup maltose (which is glucose 1->4
glucose) using the GLCA residue, atoms O1 and H4 are missing.

Am I reading the forcefield wrong, or are there other ways of
setting this up?

Any help appreciated

Peter Hansen

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