MARTINI Force Field

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1

Hello Users,

I’m attempting to use the MARTINI force field but I have a question. In the parameters:

http://md.chem.rug.nl/cgmartini/images/parameters/martini_v2.1.itp

there is this part for the non-bonded:

    ; i j	funda c6 c12 
    ; self terms
      P5 	P5 	1 	0.24145E-00 	0.26027E-02 ; supra attractive
      SP5 	SP5 	1 	0.10620E-00 	0.67132E-03 ; 75supra attractive, s=0.43
      P4 	P4 	1 	0.21558E-00 	0.23238E-02 ; attractive 

What are the c6 and c12 constants?

Thanks for the help.
2

Hello Users,

I'm attempting to use the MARTINI force field but I have a question. In the
parameters:

http://md.chem.rug.nl/cgmartini/images/parameters/martini_v2.1.itp

there is this part for the non-bonded:

    ; i j funda c6 c12
    ; self terms
      P5 P5 1 0.24145E-00 0.26027E-02 ; supra attractive
      SP5 SP5 1 0.10620E-00 0.67132E-03 ; 75supra attractive, s=0.43
      P4 P4 1 0.21558E-00 0.23238E-02 ; attractive

What are the c6 and c12 constants?

those are the lennard jones parameters in gromos formulation
(as r6 and r12 term). please have a look at the gromos/gromacs
documentation as to how they are defined and how you can
convert them to epsilon and sigma in the way LAMMPS needs them.

axel.