[gmx-users] 答复: Welcome to the "gromacs.org_gmx-users" mailing list

Mark Abraham mark.j.abraham at gmail.com
Thu May 29 11:50:08 CEST 2014

On Thu, May 29, 2014 at 11:24 AM, #ZHANG HAIPING# <HZHANG020 at e.ntu.edu.sg>

> Dear gromacs user:
> Can any tell me how to determine the cut-off parameter  e.g. rcoulomb,
> rvdw in the mdp file.

This should generally be determined in consultation with the literature on
using the forcefield you chose.

> By the way, how to plot a graph of strength versus distance for the 12-6
> Lennard-Jones potential, Is the g_energy has such function? Thanks for you
> help. Looking forward you reply.

See files in share/gromacs/top/*.xvg


> Best regards,
> Haiping Zhang
> --
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