Hello Rebeca,
I have derived the RESP charges for this reluctant. If you are interested, please contact me off-list.
Stephane
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Stéphane Abel, Ph.D.
CEA Saclay DSV/IbItec-S/SB2SM & CNRS UMR 8221
Bat 528, Office 138C
Gif-sur-Yvette, F-91191 FRANCE
Phone (portable) : +33 6 49 37 70 60
________________________________________
De : Rebeca García Fandiño [regafan.hotmail.com]
Envoyé : mardi 15 avril 2014 14:28
À : amber.ambermd.org
Objet : [AMBER] SDS parameters in AMBER
Hello,
I am trying to found AMBER or GROMACS/AMBER parameters for SDS (sodium dodecyl sulphate).
I have seen some papers simulating SDS with the Amber force field, but I have not found nor the parameters for SDS included by default in AMBER, neither any .top and .crd for the topology anywhere.
Could anyone help me to find SDS parameters for Amber?
Thanks a lot in advance.
Rebeca.
Dr. Rebeca García
Santiago de Compostela University
Spain
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Received on Tue Apr 15 2014 - 06:00:04 PDT
