Re: [gmx-users] quality of a topology and pdb2gmx

Lara Bunte wrote: Hi 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? If you're dealing with a new residue that you've introduced into the .rtp file, the topology is only as good as the compl

[gmx-users] quality of a topology and pdb2gmx

Hi 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 par