[gmx-users] correction of g_principal bug
jalemkul at vt.edu
Mon Sep 1 19:25:09 CEST 2014
On 9/1/14, 10:45 AM, nicola staffolani wrote:
> which substantially means this
Install it however you normally do.
> 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
>>> 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 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
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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
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