I need to study the effect of these ions on film stability. So i need to add different ions.
At 2011-04-14 11:22:52，"Aldo Segura" <asegurac666.yahoo.com.mx> wrote:
>I don't know what you want to do, but if you just want to make a simulation with a biomolecule containing such atoms you should use Antechamber for setting up these parameters.
>
>Regards,
>
>Aldo
>
>=======================================
>Aldo Segura-Cabrera
>Laboratorio de Bioinformática
>Centro de Biotecnología Genómica
>Instituto Politécnico Nacional
>Blvd. Del Maestro esquina Elías Piña, 88710
>Reynosa, Tamaulipas, México.
>(899)9243627 ext. 87747
>e-mail: asegurac.ipn.mx; aldosegura.gmail.com
>=========================================
>
>--- El mié 13-abr-11, MD <ptf1242.163.com> escribió:
>
>De: MD <ptf1242.163.com>
>Asunto: [AMBER] Does AMBER 9 has parameters for ions F- Br- I- etc
>A: amber.ambermd.org
>Fecha: miércoles, 13 de abril de 2011, 22:00
>
>Hi All,
>
>Does AMBER 9 has parameters for F- Br- I-?
>Does AMBER 11 has parameters for F- Br- I-?
>I saw the ions94.lib in AMBER 9. There are only 'ClO, Cl-, Cs+, IB, K+, ... Rb+'
>
>How can i add other ions?
>Thanks
>
>
>
>
>
>
>
>
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Received on Wed Apr 13 2011 - 21:00:02 PDT
