Re: [AMBER] cytidine triphosphate

From: FyD <>
Date: Thu, 26 Sep 2013 22:24:04 +0200

Dear Holly,

> The structures that I am modelling include DCP (deoxy cytidine
> triphosphate) and CTP (cytidine triphosphate). I can find the contributed
> parameters for ATP and GTP on the AMBER website, but I don't see anything
> for CTP or DCP. Can some one please recommend to me the best way to
> parameterize these cofactors? Is it necessary for me to run a quantum
> calculation on the molecules myself to get ESP fit charges?

See and/or

  & see the script1.ff LEaP script...

We will propose a new version for these cofactors...

regards, Francois

AMBER mailing list
Received on Thu Sep 26 2013 - 13:30:02 PDT
Custom Search