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 - 20:30:04 PDT
