[gmx-users] strange but true : How to explain and avoid?
Chetan Mahajan
chetanvm10 at gmail.com
Tue Jul 8 03:06:07 CEST 2014
Thanks, Justin and Roland. While 2>/dev/null/ at the end of gmxdump command
removes that quote nicely, adding either of following commands fails. I am
using gromacs 4.6.5.:
Following did not work ( why? curious since above 2>/dev/null/ will
suppress all errors getting displayed)
1. GMX_NO_QUOTES = 1
gmxdump -f lnanop.xtc
2. gmxdump -f lnanop.xtc -quiet
Thanks
Chetan
On Mon, Jul 7, 2014 at 7:07 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
>
>
> On 7/7/14, 6:28 PM, Chetan Mahajan wrote:
>
>> Dear All,
>>
>> I recently made a molecular dynamics run of TiO2-water-sodium-formate
>> system of 12740 atoms. Then I extracted dump file from xtc file of
>> production run ( NPT, 300 K, 1 bar) using gmxdump command. THere are total
>> 10001 frames. Now, I have found that some quote ( not error/warning) is
>> getting printed in the middle of the listed coordinates of last frame (end
>> of NPT run) in dump file, following quote gets printed:
>>
>> x[ 3129]={ 1.14500e+00, 3.43700e+00, 1.79100e+00}
>> x[ 3130]={ 1.06200e+00, 3.30200e+00, 1.82800e+00}
>>
>> gcq#252: "This is Tense !" (Star Wars Episode I The Phantom Menace)
>>
>>
> gcq = Gromacs Cool Quotes, witty little quips that are intended to augment
> your enjoyment of using Gromacs. If you don't want to see them printed,
> use -quiet, use the GMX_NO_QUOTES environment variables, or disable when
> configuring with cmake -DGMX_COOL_QUOTES=OFF.
>
> -Justin
>
> --
> ==================================================
>
> 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
> http://mackerell.umaryland.edu/~jalemkul
>
> ==================================================
>
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