[gmx-users] quality of a topology and pdb2gmx
lara.bunte at yahoo.de
Tue Feb 28 13:52:23 CET 2012
If you have a good parametrization of a molecule and it's pdb file and you use pdb2gmx for getting a topology, will the topology alway be finished?
It is usual to fix something in the topology file after pdb2gmx or are necessary additions in the topology a hint for a bad or even wrong parametrization in the force field?
More information about the gromacs.org_gmx-users