[gmx-users] output energies by group
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.
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