[gmx-users] Re: density vs time?

[xianghong qi]

Thanks,  Justin:

I use 4.0. Mine is here:
-------------------------------------------------------------------
  1  LJ-(SR)          2  Disper.-corr.    3  Coulomb-(SR)     4
Coul.-recip.
  5  Potential        6  Kinetic-En.      7  Total-Energy     8
Temperature
  9  Pressure-(bar)  10  Vir-XX          11  Vir-XY          12
Vir-XZ
 13  Vir-YX          14  Vir-YY          15  Vir-YZ          16
Vir-ZX
 17  Vir-ZY          18  Vir-ZZ          19  Pres-XX-(bar)   20
Pres-XY-(bar)
 21  Pres-XZ-(bar)   22  Pres-YX-(bar)   23  Pres-YY-(bar)   24
Pres-YZ-(bar)
 25  Pres-ZX-(bar)   26  Pres-ZY-(bar)   27  Pres-ZZ-(bar)   28
#Surf*SurfTen
 29  Mu-X            30  Mu-Y            31  Mu-Z            32  T-System

They are not there, I am wondering why?
-Xianghong Qi

On Wed, Nov 5, 2008 at 4:20 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> xianghong qi wrote:
>
>> Hello, all:
>>
>> I checked the mailing list. Looks like g_energy can calculate density vs
>> time, but
>> my g_energy doesn't have options like density, volume?  I am wondering how
>> I can
>> get my density vs time graph?  Any suggestion is appreciated. Thanks.
>>
>
> Look more closely.  Both versions of Gromacs that I am currently using
> (3.3.3 and 4.0) have options for Density, Volume, and Box vectors as output
> from g_energy.
>
> -Justin
>
>
>> -Xianghong Qi
>>
>>
>>
>> --
>> Some people make the world more special just by being in it.
>>
>>
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> --
> ========================================
>
> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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-- 
Some people make the world more special just by being in it.
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