[gmx-users] opls-ua, MM3

Konrad Piwowarczyk konradpi at poczta.fm
Tue Jan 6 12:17:01 CET 2004

I am preparing a simulation containing derivation of tiophene molecules, and would like to use opls united atoms forcefield or MM3 but could not find translation to gromacs - there is opls all atom only. I have read on gmx-users about how to convert MM3 to gromacs ff but probably one have done already such translation?
Another question: which forcefield is best suitable for alkane/alkene simulations ua and aa version are intersting for me?
Konrad Piwowarczyk
Z przyczyn wszystkim wiadomych zmienilem adres mojego konta 
konradpi at poczta.onet.pl -> konradpi at poczta.fm

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