[gmx-users] g_energy_d

Venky Krishna venky.agas at gmail.com
Thu Jun 1 02:31:10 CEST 2006

In this version of GROMACS (3.3.1) there are no numbers displayed (I  
guess)... The way to choose your option is to just type in the  
terms... for eg. if you want to select Temperature just type out

Temperature (or) Temp and hit ENTER. (It also works if you type out  
just a few letters in the word so as to make the selection unique.)

I am not sure if you have a special option in the command line to  
display the numbers....


Venky Krishnamani
Dr.Janos K. Lanyi Lab,
D320, Medical Sciences D
University of California, Irvine

On May 31, 2006, at 5:21 PM, Arindam Ganguly wrote:

> Hi All,
> i am using the g_energy command to look for the info in simulation,  
> when i give the command this is what is get :-
> bash-2.05b$ g_energy_d
>                          :-)  G  R  O  M  A  C  S  (-:
>                 God Rules Over Mankind, Animals, Cosmos and Such
>                             :-)  VERSION 3.3.1  (-:
> -------------obvious details omiitted---------------
>  Select the terms you want from the following list
> -----------------------------------------------------
> Bond           Angle          Proper-Dih.    Ryckaert-Bell.  
> Improper-Dih.
> LJ-14          Coulomb-14     LJ-(SR)        Disper.-corr.  Coulomb- 
> (SR)
> Coul.-recip.   Potential      Kinetic-En.    Total-Energy    
> Temperature
> Pressure-(bar) Box-X          Box-Y          Box-Z          Volume
> Density-(SI)   pV             Vir-XX         Vir-XY         Vir-XZ
> Vir-YX         Vir-YY         Vir-YZ         Vir-ZX         Vir-ZY
> Vir-ZZ         Pres-XX-(bar)  Pres-XY-(bar)  Pres-XZ-(bar)  Pres-YX- 
> (bar)
> Pres-YY-(bar)  Pres-YZ-(bar)  Pres-ZX-(bar)  Pres-ZY-(bar)  Pres-ZZ- 
> (bar)
> #Surf*SurfTen  Pcoupl-Mu-XX   Pcoupl-Mu-YY   Pcoupl-Mu-ZZ   Mu-X
> Mu-Y           Mu-Z           T-POP          T-SOL          Lamb-POP
> Lamb-SOL
> ---------------------------------------------------------------------- 
> ---------------------------
> my question is why don;t i see the number options for  
> selection.i.e. why no number in front of each energy terms.
> is there any special boolean operator for this. plz let me know.  
> thanks.
> Arindam Ganguly
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