[gmx-users] Re: error with g_dist
jalemkul at vt.edu
Tue Aug 27 01:43:25 CEST 2013
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bad/outdated compiler.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 A. Lemkul, Ph.D.
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
More information about the gromacs.org_gmx-users