[gmx-users] Heme-OPLS parameters

Dana Dogaru danutzadb at mymail.ro
Tue Sep 21 04:32:12 CEST 2004

   Dear Gromacs users,
   I am performing simulations on a protein that has a heme group and I am
   trying to transform the OPLS Amber parameters for the Gromacs OPLS force
   field. My question is if there is a formula I can use to transform the
   non-bonded parameters from Amber to the ones from Gromacs.
   Thanks in advance!

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