[gmx-users] g_tcaf segmentation fault

Justin Lemkul jalemkul at vt.edu
Wed Sep 26 19:40:32 CEST 2012

On 9/26/12 1:12 PM, lina wrote:
> On Thursday 27,September,2012 12:55 AM, Stelios Karozis wrote:
>> Thanks for the suggestion.
>> I just tried and the problem presists.
>> Just to be clear, the right way is to use the g_covar.trr file, correct?
>   -f       traj.trr  Input        Full precision trajectory: trr trj cpt
> Here the full precision means double precision? I see you use single
> precision.
> I have never tried this one, perhaps someone else may give you some
> suggestions.

Full precision and double precision are different, though not completely 
unrelated in a sense.  You can have a single- or double-precision .trr file that 
is still full precision, all it means is that a different number of decimal 
points are saved.  A .trr has greater precision than an .xtc (independent of a 
single- or double-precision calculation) simply because it stores more decimal 



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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