RE: [gmx-users] Walls & table-based potentials

ECTED]> Reply-To: Discussion list for GROMACS users To: gmx-users@gromacs.org Subject: [gmx-users] Walls & table-based potentials Date: Fri, 1 Jun 2007 11:35:10 -0500 Hello everyone, I am trying to use the new walls feature in the CVS version of gromacs. My system is a simple box of SPC w

[gmx-users] Walls & table-based potentials

Hello everyone, I am trying to use the new walls feature in the CVS version of gromacs. My system is a simple box of SPC water. When using wall_type: 9-3 or wall_type: 10-4 with appropriate atomtype and density parameters, I have no problems, and the runs proceed normally. However, when I try