[gmx-users] Error while running grompp for em (MD) in Urea

Dear All, Can anyone help me in running simulation in explicit urea. When i was using urea+h2o.gro and urea.itp and tried to do simulation in explicit urea. After doing genbox, i am not able to do the grompp for energy minimization and getting the error which is given below. I have added masses

Re: [gmx-users] Error while running grompp for em (MD) in Urea

Anil Kumar wrote: Dear All, Can anyone help me in running simulation in explicit urea. When i was using urea+h2o.gro and urea.itp and tried to do simulation in explicit urea. After doing genbox, i am not able to do the grompp for energy minimization and getting the error which is given below.