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

[#ZHANG HAIPING#]

Thanks for you help.
best regards
Haiping Zhang
________________________________________
发件人: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> 代表 Mark Abraham <mark.j.abraham at gmail.com>
发送时间: 2014年5月29日 17:50
收件人: Discussion list for GROMACS users
主题: Re: [gmx-users] 答复: Welcome to the "gromacs.org_gmx-users" mailing list

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

> 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

Mark


>
> Best regards,
> Haiping Zhang
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