[gmx-users] widom in Gromacs

Argyrios Karatrantos argyriosk at yahoo.com
Mon Nov 12 11:00:42 CET 2007

Hi all,
  is it feasible to implement the widom method in Gromacs in a system
 of Lennard-Jones chains,
    in other words to insert a molecule chain and calculate the
 difference of DeltaU=U(N+1)-U(N) ?
    if it is feasible how this can be implemented

    thanks all of you


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