parameterization of cations

From: faride badalkhani (farideh.khamseh_at_gmail.com)
Date: Wed May 04 2016 - 11:28:59 CDT

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Dear all,

I have some questions regarding parameterization of ligands!
I want to parameterize to type of molecules:
Fluorescein isothiocyanate
and
Triphenylphosphonium Cation
but the CGen FF program does not produce a .str file for the first one and
for the second one there is no explicit atom type for P+.
Therefore, I need your help to find the best way for parameterization!
Any help will be appreciated!

Regards,
Farideh

• Next message: JC Gumbart: "excluding non-bonded interactions between two proteins"
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