[gmx-users] How to get the all atom topology file for small molecule?

Yuhua Song yhsong at ccb.wustl.edu
Tue Jan 20 23:00:01 CET 2004

Hi, everyone:

I had got the united atom topology file for the small molecule using PRODRG.
Because of the project request, I need to get the all-atom topology of the
small molecule used for the analysis. Could someone give me some suggestions
about how could I get the all atom topology of small molecule based on the
united atom topology? or there are some other ways for me to get the all
atom topology file of small molecule?

Thank you very much,


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