[gmx-users] Topology builder

Mark Abraham mark.abraham at anu.edu.au
Wed Jul 4 02:18:53 CEST 2007

> Hi,
> Is there any fast program to build topology for all-atom OPLS force-field?
> I tried to use PRODRG, but it only has united atom possibilities.

You must either use pdb2gmx or read Chapter 5 and
gromacs/share/top/ffoplsaa* and produce one by hand.


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