Hello:
I am wondering is possible strip off the harmonic restrain during
equilibration step linearly? eg:
we equilibrate our system by NPT over 10 ns with
initial force constant on backbone 10 kcal/mol.A^2
end force constant on backbone is 0 kcal/mol.A^2
and the force constant was gradually stripped off linearly during this
10 ns period.
thank you very much
best wishes
Albert
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Received on Fri Apr 13 2012 - 11:30:02 PDT
