[gmx-users] specifying interaction energy between residues
gpolovy at gmail.com
Sat May 22 00:36:38 CEST 2010
I'm trying to run a course grained (c alpha) simulation of a protein and I'd like to know how/where I can define heterogeneous native interaction energies between residues. Is it under [ pairs ] in the topology file? In other words, I'd like to use a flavored model rather than a vanilla model. Please help!
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