[gmx-users] Alkane parameters for charm forcefield on gromacs

[carlos.navarro87 at gmail.com]

Dear gmx users,
I’m trying to construct CG parameters for an specific molecule, let’s call it 'A'.
To do that, I first need to run a MD simulation of ‘A’ solvated by a polar (water) and non polar (alkane) solvent. (I’m looking for octane and hexadecane, but any alkane with a ‘long’ chain should work).
Since the parameters for ‘A' I got them from http://www.swissparam.ch/, I need also the parameters of the alkane solvent from charmm to run the MD.
Sadly, I haven’t found anything (probably I haven’t search in the right place).
Could someone help me to find such parameters?
Best and thanks in advance,
Carlos


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Carlos Navarro Retamal
Ingeniero en Bioinformática
Ph. D (c) en Ciencias Aplicadas.
Centro de Bioinformática y Simulación Molecular
Universidad de Talca
Av. Lircay S/N, Talca, Chile 
T: (+56) 712201 798
E: carlos.navarro87 at gmail.com o cnavarro at utalca.cl