Re: [gmx-users] Re Grompp errors while changing combination rules

On 7/18/18 2:18 AM, Apramita Chand wrote: Dear Justin, I have tried the same commands with gromacs version 5.1.2 and the same errors arise. You have suggested that the format of what has been provided to grompp may be wrong. What I did was modify ffnonbonded.itp by leaving the C6, C12 columns

Re: [gmx-users] Re Grompp errors while changing combination rules

Dear Justin, I have tried the same commands with gromacs version 5.1.2 and the same errors arise. You have suggested that the format of what has been provided to grompp may be wrong. What I did was modify ffnonbonded.itp by leaving the C6, C12 columns empty alongside pair interactions under the