On 8/26/13 6:03 PM, chinnu657 wrote:
Mine still gives me the same error. I don't quite understand why since it's
giving u the right output. Im using the same version as you too.
My guess would be that your installation is buggy, usually the fault of a
bad/outdated compiler. Without significantly more detail about how your
software was compiled and installed, it's simply conjecture, but a probable
cause. You could also try installing version 4.6.3, but I doubt the problem
lies in Gromacs and rather the compilers, libraries, etc. available on your system.
If you do not mind, could you give me the .xvg file? So that I can use it as
a result. Simultaneously, I'll see what I can do to solve the problem with
your help?
I would be far more concerned with the fact that your Gromacs installation
produces spurious error messages - who knows what else might be wrong? Me
providing you with a single number, which is not necessarily representative of
any ensemble, does you no good. I'm also not comfortable with providing someone
with a data file so they can use it for a "submission" (as you called it
earlier), which seems to imply some sort of assignment, given that it appears
you are working through one of my tutorials.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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