Dear Nisha,
I recommend you to read this paper:
SLTCAP: A Simple Method for Calculating the Number of Ions Needed for MD Simulation [https://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b01254]
Best,
Matias
------------------------------------
PhD.
Researcher at Biomolecular Simulations Lab.
Institut Pasteur de Montevideo | Uruguay
[
http://pasteur.uy/en/laboratorios-eng/lsbm]
[
http://www.sirahff.com]
----- Mensaje original -----
De: "Nisha Amarnath Jonniya" <phd1601271002.iiti.ac.in>
Para: "AMBER Mailing List" <amber.ambermd.org>
Enviados: Viernes, 21 de Septiembre 2018 9:40:52
Asunto: [AMBER] setting of different concentration of Nacl
Dear Amber users,
I would like to do MD of protein-ligand complex in different molar
concentration of Nacl.
Can anyone help me how to proceed.
--
Nisha Amarnath Jonniya
PhD Research Scholar
Biosciences and Biomedical Engineering
Indian Institute of Technology, Indore
India
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Received on Fri Sep 21 2018 - 07:30:02 PDT
