[gmx-users] FEP with bond formation, pair problem

Jochen Hub jochen at xray.bmc.uu.se
Thu Nov 19 16:15:52 CET 2009


how can I use different coulomb 1-4 interactions in the A and B state. 
The Manual just says

[ pairs ] : LJ and Coulomb 1-4 interactions

but, I far as I could see, did not give an example how the coulomb 1-4 
interaction can be explicitly given.

Thanks a lot for any help,


Dr. Jochen Hub
Molecular Biophysics group
Dept. of Cell & Molecular Biology
Uppsala University. Box 596, 75124 Uppsala, Sweden.
Phone: +46-18-4714451 Fax: +46-18-511755

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