[gmx-users] query on umbrella sampling of association of two plates

Jagannath Mondal jmondal.backup at gmail.com
Wed Jan 13 09:35:24 CET 2016


Dear Gromacs users

  I wanted to calculate PMF of association of two graphene plates using
umbrella sampling simulations. However, my concern is how we can maintain
the planer configuration of two plates along xy-planes while performing the
umbrella sampling along the separation along z direction. Does one need to
use any special restraint in gromacs ?

Thanks

jagannath


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