[gmx-users] force autocorrelation

khuws khuws at khuws.plus.com
Tue Dec 11 15:31:00 CET 2012


Hi
Does anyone know if, and if so how, GROMACS can generate a force
autocorrelation function? 
If this is not possible then can I extract the force exterted by each atom
on a single labelled atom?
Regards
Ted



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