[gmx-users] Fwd: tetrahedral order parameter

ISHRAT JAHAN jishrat17 at gmail.com
Mon Jun 5 06:12:44 CEST 2017


---------- Forwarded message ----------
From: ISHRAT JAHAN <jishrat17 at gmail.com>
Date: Fri, Jun 2, 2017 at 10:29 AM
Subject: Re: [gmx-users] tetrahedral order parameter
To: gmx-users at gromacs.org


I have used gmx hydorder but unable to understand the output as it gives
two .xpm and two .out file. what these file describe , will you please
explain it as i am newer to gromacs.
Thanks in advance

On Thu, Jun 1, 2017 at 6:14 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 6/1/17 3:42 AM, ISHRAT JAHAN wrote:
>
>> Dear all,
>> I want to calculate tetrahedral order parameter of water molecule.can
>> anyone tell me how to calculate it.
>>
>
> Use gmx hydorder
>
> -Justin
>
> --
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
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