[gmx-users] kill some atoms

Vitaly Chaban chaban at univer.kharkov.ua
Sun Sep 14 10:36:31 CEST 2008


Is there a way in gromacs to kill some atoms.

For example, after the run one decreases the box volume using editconf
(or genbox). Evidently then some molecules appear to be outside the MD
box. The task is to kill those molecules.

Please give a hint.


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