Re: [AMBER] regarding forcefield for rna

From: Jiri Sponer <sponer.ncbr.chemi.muni.cz>
Date: Thu, 10 Jun 2010 15:55:14 +0200 (MEST)

You should include ions,
one per each cavity.
Use Na+ instead, K+ are oversized.

Jiri

-------------------------------------------------------
Jiri Sponer
Professor of Biochemistry
Head of Department of Structure and Dynamics of Nucleic Acids
Institute of Biophysics
Academy of Sciences of the Czech Republic
Kralovopolska 135
CZ-61265 Brno
Czech Republic
e-mail: sponer.ncbr.chemi.muni.cz
fax: 420 5412 12179
phone: 420 5415 17133
http://www.ibp.cz/labs/LSDNA/
-----------------------------------------------------------


> Hi,
>
> I have used NMR structure (2kbp) with no K+ ions inside the central tetads.
>
> Asfa
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 10 2010 - 07:00:04 PDT
Custom Search