Dear Luca
I have a topology for GTP but the molecule is protonated on one of the
gamma oxygen...
For my studies, (J Phys Chem B. 2012 Feb 23;116(7):2259-68) I have
used parameters from
Homeyer, N.; Essigke, T.; Meiselbach, H.; Ullmann, G.; Sticht, H. J.
Mol. Model. 2007, 13, 431-444. and RESP
charges.
Jacopo
Il 26 aprile 2012 20:28, luca codutti <luca.codutti.embl.de> ha scritto:
> Dear Amber community,
> I'd like to ask to you if someone is in possess of topology and force
> field modifications for a 3-phosphate modified RNA Guanosine at 5'
> (bound GTP), or which reference can be taken in consideration on the
> subject to prepare it.
>
> All the best
>
> --
> Luca Codutti, Ph.D.
> Meyerhofstrasse 1, 69117
> Heidelberg Germany
> tel. +49(0)62213878965
>
>
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--
Jacopo Sgrignani PhD
CNR-IOM-Democritos National Simulation Center
c/o International School for Advanced Studies (SISSA/ISAS)
via Bonomea 265,
34136
Trieste
Italy
email: sgrigna.sissa.it
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Received on Thu Apr 26 2012 - 12:30:04 PDT
