[gmx-users] Umbrella Sampling problem

[Lin]

Dear all,  I follow the Umbrella Sampling tutorial, and have some problems:1. pdb2gmx with -ter have warning "TYR-1 missiong H"2. grompp -f npt_umbrella.mdp  have 1 warning, but I avoid it.3. Gromacs 4.6.7 and gromacs 5.0.4 have same result: energy minimum is 24.8 kcal mol-1So, what happed in my simulations ?  The result is wrong or not ? and how can I do?Thanks!