[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.
More information about the gromacs.org_gmx-users