Re: [gmx-users] potential energy in implicit solvent simulations

Hi It seems that the non-polar energy term has gone missing, and does not get included in the print-out. While adding it back again properly I found some other issues that I need to check before committing. The total potential energy should be correct. /Per 16 sep 2010 kl. 17:47 skrev "Ehu

[gmx-users] potential energy in implicit solvent simulations

Dear GROMACS users, I am conducting energy minimization with an implicit solvent, using GROMACS version 4.5.1 at double precision. The minimization provides the minimal potential energy I'm interested in, but I also wanted to see the contributions to it. I therefore used g_energy_d and picked