[gmx-users] What does "Conserved-En." stands for

Jim (Rui) Qiao ruiqiao at gmail.com
Tue Nov 30 04:08:32 CET 2010


Thanks a lot, Michael. -- Jim

On Mon, Nov 29, 2010 at 1:02 PM, Michael Shirts
<michael.shirts at virginia.edu> wrote:
> For integration schemes like Nose-Hoover that are not NVE but have
> some other quantity that is conserved, then "Conserved-En. provides
> the value of this conserved quantity.
>
> ~~~~~~~~~~~~
> Michael Shirts
> Assistant Professor
> Department of Chemical Engineering
> University of Virginia
> michael.shirts at virginia.edu
> (434)-243-1821
>
> On Mon, Nov 29, 2010 at 12:34 PM, Jim (Rui) Qiao <ruiqiao at gmail.com> wrote:
>> Dear all:
>>
>> When using g_energy to analyze the energies of the MD system, an entry
>> termed "Conserved-En." is provided. What does this term stands for?
>> The simulation is in NVT ensemble.
>>
>> Thanks,
>>
>> RQ
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