[gmx-users] correction of g_principal bug
nicola staffolani
n.staffolani at unitus.it
Mon Sep 1 16:45:43 CEST 2014
which substantially means this
<http://www.gromacs.org/Documentation/Installation_Instructions#quick-and-dirty-installation>,
right?
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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--
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
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