[gmx-users] About Free energy surface .....g_sas

[rama david]

Dear Justin,

Thank you a lot for help and kind passion to  listen  me.


I finally come with the my desired out put.
I

I am grateful to you for help.

With Best Wishes,
Rama david



On Thu, Apr 4, 2013 at 7:09 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 4/4/13 9:37 AM, rama david wrote:
>
>> Thank you a lot justin for offering me help.
>>
>> I am interested to use g_sham ..( And if the other command give me my
>> output, I am also interested to know the other  way )
>>
>> I was confuse with the input that I have to give with g_sham.
>>
>> I proceed the following command
>>
>>
>> g_energy is used to get potential ( pot.xvg )
>> g_rmsdist is used to get rmsdist.xvg
>> What sis next ????????
>>
>> My confusion start with the input to give the g_sas ...
>>
>> As you mention
>> The input file is simple.  It can be one of two forms:
>>
>> time  x  y
>>
>> or simply:
>>
>> x  y
>>
>>
>> But what is flag for  command  input and out put.
>>
>>
> You need to create your own input, parsing the values from pot.xvg and
> rmsdist.xvg.  The combined file (.xvg) is then passed to g_sham -f.
>
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
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