Re: [AMBER] ATP and GTP parameters

From: E.M. <pckboy.gmail.com>
Date: Thu, 3 Sep 2009 07:30:31 +0100

Oh my!, do you have both?. This is even better =-O
both states are great, although I will try first -2.
I basically need to bind. ATP, ADP, GTP, GDP, AMP /GMP is not so useful
now, but if you have them do share.
which paper do I quote?.

Regards

Eduardo
FyD wrote:
> Eduardo,
>
>> I was wondering if anyone can supply parameters for the phosphates XYP
>> with X={A,G}, Y={T,D,M} other than those
>> found in http://www.pharmacy.manchester.ac.uk/bryce/amber
>> I heard somebody has the parameters compatible with ff03, would you
>> care to share those?
>
> ok no problem.
>
> Do you need dexoxyribose or ribose ?
> Which protonation state for each terminal phosphate ? -2 or -1 ?
>
> regards, Francois
>
>
>
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Received on Thu Sep 03 2009 - 00:00:04 PDT
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