[gmx-users] using g_energy

[Mark Abraham]

Probably the answer is "don't constrain bond lengths and then expect them
to vary" :-)

Mark
On 06/03/2015 5:21 pm, "sang eun jee" <sangeunjee at gmail.com> wrote:

> Dear gromacs users
>
> Hello.
> I am using gromacs  4.6.6 to simulate protein in water solution and have
> one question about using g_energy.
> I am using AMBER99sb-ILDN forcefield, whose forcefield has bonded
> terms-bonds, angles, dihedrals and non bonded terms-LJ and coulombic
> interactions.
>
> When using g_energy to analyze the potential, the options included angles,
> dihedrals(proper and improper),LJ (sr and 14) and coulombic interactions(sr
> and 14) but there is no "bond-bond interaction energy". Could you let me
> know how I can calculate bond-bond energy term?
>
> Thanks,
>
> Sangeun Jee
>
>
> --
> Post Doctoral Researcher
> School of Materials Science and Engineering
> Georgia Institute of Technology
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