[gmx-users] IBUPROFEN

Q. Y. HUAN scottiehuan at yahoo.com
Wed Feb 25 08:17:10 CET 2009

Dear GMX-users and developers,

I am interested in doing simulation of ibuprofen (NSAIDs Drug). But I am facing some difficulties in getting the right topologies ( OPLS-AA force field). I get my pdb field from PRODRG server. 

Does anyone can help me in getting the  correct file?
Any comments and suggestions are appreciated.


Postgraduate Student, 
Laboratory of Theoretical and Computational Chemistry,
Department of Chemistry, 
Faculty of Science,
University Putra Malaysia.


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