[gmx-users] Tables - two non-bonded interactions
viniciusvgc at yahoo.com.br
Tue Mar 22 22:28:17 CET 2011
I trying to simulate a protein with C-alpha model (my protein have only alpha-carbons) . I need two different interatomic interactions.
1 - Some interactions in a specific alpha-carbons, using a Lennard Jones 10 -12 potential (i'm determining the pairs in my topology file).
2 - All carbons in my system should to interact among themselves with a Buckingham potential ( here is the problem - how can i use this potential for all my atoms and a LJ 10-12 to just a few atoms?)
I'm using a table for a LJ 10-12 and trying to use a table to Buckingham.
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