[gmx-users] output energies by group

Mark Abraham Mark.Abraham at anu.edu.au
Sat Aug 5 12:59:42 CEST 2006


David van der Spoel wrote:
> Mu Yuguang (Dr) wrote:
> 
>> Dear all,
>>
>>>> How to output energies of different groups during the MD simulation?
>>>
>>>
>>> with g_energy, if you have used energy groups in the simulation...
>>
>>
>>
>> No, I mean output the group energies in the flying ( using cut-off,
>> during the simulation, not after the simulation), I think I have to
>> modify the source code.
>>
> 
> What do you mean "in the flying"?

Sounds like a double language issue :-)

"on the fly" is an English slang expression for describing doing 
something while actively engaged in something else... here getting the 
group energies while still simulating.

Mark



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