[gmx-users] IBUPROFEN

[Q. Y. HUAN]

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.

Thanks


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