[gmx-users] User Defined walls and Potential

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

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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
potential?

Any help will be much appreciated!

Regards,
Karnesh Jain
PhD Candidate
University at Buffalo

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