[gmx-users] large carbohydrates

Peter I. Hansen piha at kvl.dk
Mon May 15 13:33:25 CEST 2006


I'm trying to set up a larger carbohydrate for MD in gromacs. I've used 
prodrg for smaller sugars, since pdb2gmx seems to fail due to lack of 
residues in the forcefield. But, prodrg fails when the number of atoms 
is larger than 300 (and for the beta version, 500 atoms).
Is there another way to do this setup? I only need poly-alpha-glucose, 
so it's just one residue I miss.

thanks, Peter

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