[AMBER] CY3 dye parameters

From: <jcmoore.student.umass.edu>
Date: Thu, 23 Apr 2009 22:42:59 +0100

I'm having problems charge getting the parameters for a CY3 dye, I initially
used antechamber, but then discovered antechamber couldn't be used if you were
working with a molecule fragment.

as the CY3 dye is going to be attached to a strand of RNA, I discovered the
program RED is supposed to be capable of getting the parameters.

however I'm having trouble choosing a cap for the unbonded oxygen on the CY3
dye, I was thinking that a suitable cap would be a PO4 group however I'm not
sure what the charge should be constrained to.

any tips?

-James Moore

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Received on Wed May 20 2009 - 12:26:00 PDT
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