[gmx-users] Adding 3 body force field term into Gromacs

[Tandia, Adama]

Dear ALL:

Has anyone tried to add a tree body term in Gromacs?
Any functional like Stillinger-Weber (SW) or Axilrod-Teller (AT)?

SW: e*a*exp(b*(1/(r12/c-d)+1/(r13/c-d)))*(cos(theta)-cos(theta_0))**2
where e,a,b,c,d,theta_0 are fixed 

AT: Z_123*[1+cos(theta_123)*cos(theta_231)*cos(theta_312)]/[r_12*r_13_r_23]^3
Where Z_123 is fixed

Thanks a lot,

Adama


Adama Tandia
Modeling & Simulation
Corning INC
Corning, NY 14831 USA
Tel:  607 248 1036
Fax: 607 974 3405
www.corning.com <www.corning.com> 

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