[gmx-users] Umbrella Sampling question

Adrian Gustavo Turjanski adrian at qi.fcen.uba.ar
Tue Feb 8 23:05:24 CET 2005


I would like to do an Umbrella Sampling simulation, but instead of 
maintaining the position of the pulled group relative to the reference 
the group,
I would like to maintain the distance between the pulled group and the 
reference group. Can I do this with gromacs?


Dr. Adrián Turjanski
Departamento de Química Inorgánica, Analítica y Química Física.
Departamento de Fisiología y Biología Molecular y Celular
Facultad de Ciencias Exactas y Naturales.
Universidad de Buenos Aires.

More information about the gromacs.org_gmx-users mailing list