ABF with external electric field

From: Bala subramanian (bala.biophysics_at_gmail.com)
Date: Tue Mar 31 2015 - 10:42:24 CDT

Hello friends,

Suppose i do the ABF simulation along a reaction coordinate (For example
the movement of a single ion along the z-direction) in the presence of
external electric field (efield option in namd). How does NAMD calculate
the force evaluations in the bins in such case, does it internally excludes
the influence of the electric field.

Precisely is it advisable to perform ABF in combination with an external
electric field.


C. Balasubramanian

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