[gmx-users] Free energy pertubation

Pedro Alexandre Lapido Loureiro paloureiro at biof.ufrj.br
Tue Aug 20 14:26:03 CEST 2002

Citando Alessandra Villa <A.Villa at chem.rug.nl>:

> Hi, 
> did you put free_energy=yes and delta_lambda not equal to zero? 

> Are the LJ parameters or the charges of state A  different from the one 
> of state B? 
 I want them to be, but I don't know exactly how to do this: I want to "grow"
the molecules from zero LJ/charge parameters to their full value, so they are
slowly inserted in the membrane interior.
Thank you for your reply, Alessandra.



Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica

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