[gmx-users] g_sdf

[Nilesh Dhumal]

Hello Justin,
Sorry. I was following the manual-4.0 for g_spatial. Maunal is giving
differnet things.
I checked with g_spartial -h.  I got.
Thanks
NIlesh

On Tue, May 11, 2010 4:22 pm, Justin A. Lemkul wrote:
>

>
>
> Nilesh Dhumal wrote:
>
>> Hello Justin,
>> I am doing solvation of glucose in ionic liquids. I want to show that
>> glucose in surrounded by cation by ploting the iso-surface. Becuase of
>> this I am using g_sdf. THe out put file is in .plt file. Can I get use
>> gassview to plot the iso-surface.
>
> I have no idea what this is.  The help information says this file is for
> gOpenMol.
>
>> Do you think still I can use g_spatial to get the *.cub file.
>>
>>
>
> Read the first line of g_spatial -h.
>
>
> -Justin
>
>
>> Nilesh
>>
>>
>> On Tue, May 11, 2010 1:42 pm, Justin A. Lemkul wrote:
>>
>>
>>> Nilesh Dhumal wrote:
>>>
>>>
>>>> Hello,
>>>> I am trying to calculate spatial distribution function (SDF) for my
>>>> system. Can I genrate the *.cube file or gaussian format file using
>>>> sdf? I want to use gassview or molden software to plot.
>>>>
>>>>
>>>>
>>> Have you tried g_spatial -h?  I think you will find what you're
>>> looking for.
>>>
>>> -Justin
>>>
>>>
>>>
>>>>
>>>> Thanks
>>>>
>>>>
>>>>
>>>> Nilesh
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>>>
>>> --
>>> ========================================
>>>
>>>
>>>
>>> Justin A. Lemkul
>>> Ph.D. Candidate
>>> ICTAS Doctoral Scholar
>>> MILES-IGERT Trainee
>>> Department of Biochemistry
>>> Virginia Tech
>>> Blacksburg, VA
>>> jalemkul[at]vt.edu | (540) 231-9080
>>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>>
>>>
>>>
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>>
>>
>>
>
>
> --
> ========================================
>
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
>
> ========================================
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