[gmx-users] histograms

[jalemkul at vt.edu]

Quoting Nilesh Dhumal <ndhumal at andrew.cmu.edu>:

>
>
> I am using gnuplot
> I am using following script to plot
>
> set term postscript
> set output "histo.eps"
> p 'histo.xvg' u 1:2 w l
>
> Also attached plot.
>

I don't use gnuplot much, but it seems from your command that you're  
telling gnuplot to only use the first two columns (1:2), when there  
may, in fact, be twenty in the file.  As I suggested before, look at  
the file in a text editor to see what it actually contains, then  
consult gnuplot documentation to see if you're reading it in correctly.

-Justin

> NIlesh
>
> On Mon, January 10, 2011 2:43 pm, jalemkul at vt.edu wrote:
>> Quoting Nilesh Dhumal <ndhumal at andrew.cmu.edu>:
>>
>>
>>> I run the following command.
>>>
>>>
>>> g_wham -it tpr-files.dat -ix pullx-files.dat
>>>
>>> I am getting only one pick.  I have total 20  pullx. files.
>>> Why I am getting only one pick instead of multiple.
>>>
>>>
>>
>> My guess is you're plotting histo.xvg wrong.  Try
>>
>>
>> xmgrace -nxy histo.xvg
>>
>> and/or looking into the file with your favorite text editor to verify its
>> contents.
>>
>> -Justin
>>
>>
>>> NIlesh
>>>
>>>
>>> On Mon, January 10, 2011 2:05 pm, jalemkul at vt.edu wrote:
>>>
>>>> Quoting Nilesh Dhumal <ndhumal at andrew.cmu.edu>:
>>>>
>>>>
>>>>
>>>>> Hello,
>>>>> I trying to run umbrella sampling simulation for system.
>>>>>
>>>>>
>>>>>
>>>>> To get histograms should I make pullx-files.dat with pullx.files
>>>>> and then use g_wham.
>>>>>
>>>>
>>>> There is a tutorial that explains all of this:
>>>>
>>>>
>>>>
>>>> http://www.gromacs.org/Documentation/Tutorials#Pull_Code_and_Umbrella
>>>> _Sam
>>>> pling
>>>>
>>>> -Justin
>>>>
>>>>
>>>>
>>>>>
>>>>> Nilesh
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>> --
>>>>> gmx-users mailing list    gmx-users at gromacs.org
>>>>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>>>>> Please search the archive at
>>>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>>>>> Please don't post (un)subscribe requests to the list. Use the
>>>>> www interface or send it to gmx-users-request at gromacs.org. Can't
>>>>> post? Read http://www.gromacs.org/Support/Mailing_Lists
>>>>>
>>>>>
>>>>>
>>>>
>>>>
>>>> --
>>>> gmx-users mailing list    gmx-users at gromacs.org
>>>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>>>> Please search the archive at
>>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>>>> Please don't post (un)subscribe requests to the list. Use the
>>>> www interface or send it to gmx-users-request at gromacs.org. Can't post?
>>>> Read
>>>> http://www.gromacs.org/Support/Mailing_Lists
>>>>
>>>>
>>>>
>>>>
>>>
>>>
>>> --
>>> gmx-users mailing list    gmx-users at gromacs.org
>>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>>> Please search the archive at
>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>>> Please don't post (un)subscribe requests to the list. Use the
>>> www interface or send it to gmx-users-request at gromacs.org. Can't post?
>>> Read http://www.gromacs.org/Support/Mailing_Lists
>>>
>>>
>>
>>
>> --
>> gmx-users mailing list    gmx-users at gromacs.org
>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>> Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>> Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-users-request at gromacs.org. Can't post? Read
>> http://www.gromacs.org/Support/Mailing_Lists
>>
>>
>>
>