Re: [gmx-users] Largest charge group radii for Van der Waals; Largest charge group radii for Coulomb

Hi Tom This warning comes from a check that (I think) was not present in 4.0.7 version. This problem is usually a consequence of bad charge group numbering in your topology. Please, provided your topology file and grompp command arguments. Cheers Javier El 11/06/11 05:59, Tom escribió:

Re: [gmx-users] Largest charge group radii for Van der Waals; Largest charge group radii for Coulomb

Javier Cerezo wrote: Hi Tom This warning comes from a check that (I think) was not present in 4.0.7 version. This problem is usually a consequence of bad charge group numbering in your topology. Please, provided your topology file and grompp command arguments. It is also possible that

[gmx-users] Largest charge group radii for Van der Waals; Largest charge group radii for Coulomb

Dear Gromacs Users, My file has no problem when i grompp with verison of 4.0.7 When i swith to Gromacs 4.5.3 and grompp my file, it gives this reports: NOTE 3 [file grompp.mdp]: You are using a plain Coulomb cut-off, which