How to Use this Wikia

How to Use this Wikia
This site can be used in either of the following ways:

For those seeking assistance with their GROMACS OPLS-AA topologies:
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--save all topologie versions

-annotate modifications to topologies

-what to upload

-how to add atom numbers in Avogadro

-add the molecule to the list of topologies which require assitance

-Once a consensus has been reached reagarding the most consistent topology, add it to the accepted topologies page ""

-Users can even add publication citations, and

Just because an atom type appears to be the most correct does not mean it will grompp. It may have a missing bonding class pairing which will give errors. Just because a TOP grompps with a PDB, does not mean that the topology is the most corrct.

For those who want to help improve topologies:
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Index to Key Pages
General OPLS-AA Topology Formatting

How to Use this Wikia

OPLS-AA Force Field Files

Draft Topologies

Accepted Best Working Topologies