On 18/05/2012 6:14 AM, mohan maruthi sena wrote:
Hi all,
I have used a user define potential to describe attractive
potential beyond i and i+3 atoms(similar to lLJ). If i want to
describe repulsive interactions with in i and i+3 , how can i do it in
gromacs? can anyone suggest me a way,
You can have multiple user-defined potentials if you can set up energy
groups within which they interact, but I don't think it is possible in
the current code to have the potential vary with the bonded connectivity.
Mark
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