Re: [gmx-users] problem of GB simulation

Most likely you do something wrong in energy minimization step: http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/05_EM.htmlMake sure you produce plot similar like in that page with your system before proceeding further with minimized system. On

[gmx-users] problem of GB simulation

Hello, I am using the following .mdp file for protein BG solvent simulations. However, the job always failed with the following messages: vol -0.00! imb F 22% step 144100, remaining wall clock time: 207 s vol -0.00! imb F 23% step 144200, remaining wall clock time: 207 s vol -0.00! imb F