[gmx-users] How to ignore atoms during simulations??

Cesar Araujo cesar.araujo at oulu.fi
Wed Jun 21 13:32:46 CEST 2006


Could anybody tell me how to modify an ITP file to ignore certain atoms (as if
they were not there) during simulations? I've changed charge and masses to 0.0
but I've got a lot of warnings during grompp preprocessing telling me that
those atoms has zero mass and the program stops after certain numbers of

Thanks in advance,

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