[gmx-users] umbrella Sampling

Ilya Chorny ichorny at maxwell.compbio.ucsf.edu
Thu Apr 15 07:18:01 CEST 2004


Is there an advantage to using the Pull code to do umbrella sampling as
opposed to using the distance and angle restraints described in the
non-bonded interaction section of the users manual? It seems to me like
using the latter approach is much more straightforward.



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