Hi,
It is a compromise between precision and accuracy. While 0.98 g / cc is
very accurate but little precise), 1 g / cc is very precise but
inaccurate. Both accuracy and precision reflect how close a measurement is
to an actual value, but accuracy reflects how close a measurement is to a
known or accepted value, while precision reflects how reproducible
measurements are, even if they are far from the accepted value.
I Hope this help you.
Greeting,
Hector.
> Hi,
>
>
> The Density of my system after adding
>>solvateoct test TIP3PBOX 12.0
>
> -I: Adding /opt/apps/amber14/dat/leap/prep to search path.
> -I: Adding /opt/apps/amber14/dat/leap/lib to search path.
> -I: Adding /opt/apps/amber14/dat/leap/parm to search path.
> -I: Adding /opt/apps/amber14/dat/leap/cmd to search path.
> Total mass 492852.154 amu, Density 0.849 g/cc
> Added 25964 residues.
>> savepdb test box12.pdb
> Writing pdb file: box12.pdb
>
>
> And after simulation run for 80 ns, the summary.DENSITY file shows an
> average density of 0.98 which is stable but less than 1 gm/cc.
>
> What could be the possible reason of density being less than 1. Also is
> the
> simulation correct seeing the density?
>
> Please guide.
>
> Thanking in anticipation.
>
>
> Regards,
> M. Jones
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--------------------------------------
Dr. Hector A. Baldoni
Area de Quimica General e Inorganica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------
I DO NOT DEFINE TIME, SPACE, PLACE, AND MOTION, AS BEING WELL KNOWN TO ALL.
-- NEWTON (1642-1726), PRINCIPIA.
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Received on Tue Jun 02 2015 - 07:30:03 PDT
