[gmx-users] 1,5 and 1,6 LJ interactions for OPLS AA SEI

Mr Bernard Ramos bgrquantum at yahoo.com
Mon Apr 11 06:49:30 CEST 2011

Hi everyone!
The OPLS AA SEI for carbohydrates scales the 1,5 and 1,6 interaction by a certain factor. How do I go about introducing the scaling of these intearctions in the ff parameters? The CHARMM ff also has certain 1,4 parameters, I am not sure how we can go about placing these specific parameters in the ff.
Your help is greatly appreciated. Thanks.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110410/4b11c317/attachment.html>

More information about the gromacs.org_gmx-users mailing list