Hi, ques1: I have 3 energy groups. I am interested in using tables for LJ and coulomb interactions for Group1-group2 interactions. For all other interactions: 1) Group1-group1 -all interactions-bonded and non-bonded 2) Group2-group2 -all interactions -bonded and non-bonded 3) All possible combinations for group3 I want to use gromacs defined standard energy functions.
For all other types of interactions, e.g. 1-4 pair interactions and bonded interactions I would like to use gromacs defined interactions. And for all these cases, I am still looking to use parameters defined by the forcefield. I would like to specify that I am will be using a functional form in the tables differing from coulomb and 6-12 LJ interactions by a numeric constant. Is it possible? If not entirely, which is possible? Any suggestions on which part might be easier to program? Pooja Quaerendo Invenietis-Seek and you shall discover.
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