[gmx-users] Heme-OPLS parameters

[Dana Dogaru]

   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!
   Daniela


---------------------------------------------------------------
http://www.videomax.ro/  -  Cautam cinefili pentru premiere!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20040921/03f043d8/attachment.html>