Dear All,
does anyone know if one can use a sigmoidal distance-dependent dielectric
function to simulate solvent and counterion electrostatic damping effects?
If so can one specify slope and plateau values? Is that what the switch
eedmeth=5 in sander does?
Thanks for any help in advance.
Best regards,
Robert
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Robert Endres
http://www.csm.ornl.gov/~endres/
Computer Science and Tel: (865) 574 4845
Mathematics Division FAX: (865) 574 7659
Oak Ridge National Laboratory E-mail: endresrg.ornl.gov
P.O.Box 2008
MS 6114
Oak Ridge, TN 37831-6114
Received on Fri May 23 2003 - 16:53:01 PDT
