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plumed / plumed2

Development version of plumed 2
https://www.plumed.org
GNU Lesser General Public License v3.0
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bug: ENERGY cv not working with gromacs #1085

Closed invemichele closed 2 weeks ago

invemichele commented 1 month ago

@gtribello This seem to be related to the way hack-the-three handles ENERGY

see https://groups.google.com/g/plumed-users/c/hv7u5dRmPug/m/K9QNfD2CAwAJ

Note: in Qinghua's tests OPES_EXPANDED starts to add bias at 200ps, so the simulation crashes as soon as the ENERGY dependent bias is applied

gtribello commented 2 weeks ago

I think should now be fixed. Sorry it took a while to get to it.