[gmx-users] correction of g_principal bug

[nicola staffolani]

Thank you!


2014-09-01 19:24 GMT+02:00 Justin Lemkul <jalemkul at vt.edu>:

>
>
> On 9/1/14, 10:45 AM, nicola staffolani wrote:
>
>> which substantially means this
>> <http://www.gromacs.org/Documentation/Installation_
>> Instructions#quick-and-dirty-installation>,
>> right?
>>
>>
> Install it however you normally do.
>
> -Justin
>
>
>
>> 2014-09-01 15:42 GMT+02:00 Justin Lemkul <jalemkul at vt.edu>:
>>
>>
>>>
>>> On 9/1/14, 9:09 AM, nicola staffolani wrote:
>>>
>>>  ​Dear GROMACS community,
>>>>
>>>> regarding "this reported bug
>>>> <http://permalink.gmane.org/gmane.science.biology.gromacs.user/66719>"
>>>> of
>>>>
>>>> g_principal, I have edited gmx_principal.c in my
>>>> ~/GROMACS/gromacs-4.5.5/src/tools folder as described, I have then left
>>>> gromacs run, but in my /usr/bin folder I see that g_principal has been
>>>> modified the last time somewhen in 2011; from this I draw the conclusion
>>>> that the bug is still there in my gromacs program; could you kindly tell
>>>> me
>>>> what to do?
>>>>
>>>> I guess something resembling a compilation and/or a linking is
>>>> missing...
>>>>
>>>>
>>>>  If you change the code, you have to recompile and reinstall for
>>> anything
>>> to take effect.
>>>
>>> -Justin
>>>
>>> --
>>> ==================================================
>>>
>>> Justin A. Lemkul, Ph.D.
>>> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>>>
>>> Department of Pharmaceutical Sciences
>>> School of Pharmacy
>>> Health Sciences Facility II, Room 601
>>> University of Maryland, Baltimore
>>> 20 Penn St.
>>> Baltimore, MD 21201
>>>
>>> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
>>> http://mackerell.umaryland.edu/~jalemkul
>>>
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>>>
>>
>>
>>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
> ==================================================
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
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>
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>



-- 
Nicola Staffolani PhD
Biophysics & Nanoscience Centre CNISM <http://www.unitus.it/biophysics>
Università della Tuscia
Largo dell'Università s.n.c., I-01100 Viterbo
email: n.staffolani at unitus.it
tel.: +39 0761 35 70 27; fax: +39 0761 35 71 36