[gmx-users] quality of a topology and pdb2gmx

Lara Bunte 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? 


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