From: Anurag Sharma (Anurag.Sharma_at_my.ndsu.edu)
Date: Wed Jun 12 2013 - 15:39:34 CDT
Dear all users,
I am working on a solvated model (protein surrounded by water molecules) which has anisotropic geometry. I am trying to apply force constant method (SMD) to calculate stresses and modulus of the system. In force constant method one applies force on individual atoms placed in a layer but due to anisotropic geometry I don't know how can I achieve this.
Another possible way to calculate stresses is to put solvated system in a box and then apply force on the boundaries of that box. Is there any method in NAMD which I can use here.
Thank in advance.
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