Re: [gmx-users] Tabulated non-bonded potential

I have a further question about tabulated non-bonded potentials. The manual (6.7.2) says: "It is also possible to combine a standard Coulomb with a modified LJ potential... The table file must always contain the 7 columns however, and meaningful data (i.e. not zeroes) must be entered in all column

Re: [gmx-users] Tabulated non-bonded potential

Mark Abraham ha scritto: > ms wrote: >> Hi, >> >> I would like to understand a basic question about the usage of tabulated >> potential for non-bonded interaction. If I use an arbitrary function and >> I write a table for it, is the functional shape then applied to *all* my >> atoms, or can I speci

Re: [gmx-users] Tabulated non-bonded potential

ms wrote: Hi, I would like to understand a basic question about the usage of tabulated potential for non-bonded interaction. If I use an arbitrary function and I write a table for it, is the functional shape then applied to *all* my atoms, or can I specify which ones use the tabulated potential