Dear Amber users and developers,
I am using pbsa module from AmberTools 12, in order to compute the
electrostatic potential due to a polyelectrolyte network.
Moreover, I also need to compute electrostatic forces in order to make
a proper analysis of the system.
Choosing forceopt = 2 in the pbsa input file, I obtain a "force.dat"
file as output, which is constituted by the force values in three
columns.
I would like to ask you what exactly these numbers represent, and if I
can visualize these values with a proper software like VMD or pymol.
Thank you for your help and collaboration.
Tommaso Casalini
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Received on Thu May 24 2012 - 07:00:03 PDT
