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Voltage simulation

Gu Peihua pku at ucla.edu
Fri Dec 13 15:18:47 EST 1996

I'm interested in ways of simulating the application of voltage across a
channel.  I'd like some references regarding this technique if anyone
knows of any.

There is a paper which uses a non-inertial solvent model.  In this case
they assume that all charge groups are initially screened by solvent
effects prior ot voltage application.  The effects of an electric field
are simulated by modeling a progressive unscreening of charged groups.

Are there non-inertial solvent forcefield parameters in X-PLOR?

And also, how can I vary the electrostatic portion of the energy
function as a function of time?

Any help you could give me would be greatly appreciated.

Peihua Ku

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