[gmx-users] 30-6 LJ potential

Lianqing Zheng lzheng at me.rochester.edu
Tue May 6 22:05:01 CEST 2003

Dear Gromacs pals:

I need to add a 30-6 LJ potential to deal with a defect in Buckingham,
that is U goes to -inf when r -> 0. 30-6 LJ has the following form:
U(r)=4epsilon( (sigma/r)^30 - (sigma/r)^6 )

Do you know to build up this potential in Gromacs? Thank you very much!


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