[gmx-users] query on OPLS-2005

Sanku M msanku65 at yahoo.com
Thu Oct 27 00:02:07 CEST 2011


Hi,
  I wanted to check what is actually OPLS-2005 forcefield that is recently being referred often for md simulation. However, I also see that whenever, OPLS-2005 is being referred, it cites a 2001 paper by Jorgensen on OPLS forcefield. So, what is actually OPLS-2005?
So, I wonder what version of OPLS forcefield is present in gromacs 4.5 series. Is it also so-called OPLS-2005 forcefield?
Sanku
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