Hi all,<div>I am doing QMMM Meta simulation but it crashed after 12 ps with this error:</div><div><br></div><div><div> *******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /   \                                                                      *</div><div> * [ABORT]                                                                     *</div><div> *  \___/                GEOMETRY wrong or EMAX_SPLINE too small!              *</div><div> *    |                                                                        *</div><div> *  O/|                                                                        *</div><div> * /| |                                                                        *</div><div> * / \                                               fist_neighbor_lists.F:607 *</div><div> *******************************************************************************</div><div><br></div><div><br></div><div> ===== Routine Calling Stack ===== </div><div><br></div><div>            7 build_neighbor_lists</div><div>            6 build_fist_neighbor_lists</div><div>            5 list_control</div><div>            4 fist_calc_energy_force</div><div>            3 velocity_verlet</div><div>            2 qs_mol_dyn_low</div><div>            1 CP2K</div></div><div><br></div><div>I have fixed the LJ parameters for <b>WAT@H1</b>, <b>WAT@H2</b>, <b>SER@HG</b>, and <b>TYR@HH</b> according to the tutorial. </div><div>I noticed that the temperature of the system has been too high just before it cashed.</div><div><br></div><div>Could someone please help to solve the problem?</div>

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