[gmx-users] Martini mapping for fluorinated alkane

maria goranovic mariagoranovic at gmail.com
Fri May 11 11:30:56 CEST 2012


I have a fully fluorinated alkane, and am wondering how to choose the right
atom-to-bead mapping. 4 CH2 groups form a C1 bead in Martini. Will CF2-CF2
(6 heavy atoms), also map to a C1 bead type? How does one go about making
the right choice?

Any suggestions will be so welcome

-- 
Maria G.
Technical University of Denmark
Copenhagen
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