To all Amber Developers:
I would like to add periodic simulation capabilities with external electric
field (F = qi*E, where E is input field strength parameter) in Amber source
code. I would think it's very straight-forward since it's just addition of
another force term.
Mains issues:
Can anyone offer some guidance on code modification?
Which *.f file needs to be looked at?
Amber unit conversions of input E-field parameter?
Pls help and thanks in advance.
Keith
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Received on Thu Jan 14 2010 - 11:00:02 PST
