[gmx-users] Minimization problem

Justin Lemkul jalemkul at vt.edu
Thu Jan 17 16:50:36 CET 2013

On 1/17/13 9:54 AM, Marcelo Depolo wrote:
> Well, Justin,
> I tried to generate the .tpr using single precision and I got the same
> warning. I also tried to use gmxcheck using the command line below:
> *$ gmxcheck -e prt_cg.edr -m cg.tex*
> Unfortunately, I got the same warning and no log file. What is a I/O issue?

You won't get a log file.  The -m flag is used only to print methods information 
from the .tpr file and is not relevant here.  An I/O issue is an input/output 
problem (i.e. reading/writing from/to the disk).  If it happens every time you 
run the minimization, that doesn't sound like it's relevant.

Is this reproducible with 4.6beta3?



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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