[gmx-users] Martini mapping for fluorinated alkane
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
Technical University of Denmark
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users