[gmx-users] User Defined walls and Potential

Karnesh Jain karneshj at buffalo.edu
Thu Feb 26 20:57:14 CET 2015

Hi gromacs users,

I have started using gromacs recently. I want to specify a user defined
wall having potential u(z)= - E_ij (1 - z_ij /σ_ij ). How can I specify
this potential in the table as this is not in form of LJ or Buckingham

Any help will be much appreciated!

Karnesh Jain
PhD Candidate
University at Buffalo

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