[gmx-users] distance VS. direction option in Umbrella sampling, in Gromacs 4.0

DeChang Li li.dc06 at gmail.com
Tue Nov 16 12:25:18 CET 2010


Dear all,

    What is the difference between the option Distance and Direction in
Umbrella Sampling?
    In my opinion, the option Direction means that pulling the pull_group1
through the direction related to the reference group. Right? But how about
the option Distance?
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