[CP2K-user] [CP2K:16281] QMMM Meta

[Sayyed Jalil Mahdizadeh]

Hi all,
I am doing QMMM Meta simulation but it crashed after 12 ps with this error:

 *******************************************************************************
 *   ___                                                                    
   *
 *  /   \                                                                  
    *
 * [ABORT]                                                                  
   *
 *  \___/                GEOMETRY wrong or EMAX_SPLINE too small!          
    *
 *    |                                                                    
    *
 *  O/|                                                                    
    *
 * /| |                                                                    
    *
 * / \                                              
 fist_neighbor_lists.F:607 *
 *******************************************************************************


 ===== Routine Calling Stack ===== 

            7 build_neighbor_lists
            6 build_fist_neighbor_lists
            5 list_control
            4 fist_calc_energy_force
            3 velocity_verlet
            2 qs_mol_dyn_low
            1 CP2K

I have fixed the LJ parameters for *WAT at H1*, *WAT at H2*, *SER at HG*, and 
*TYR at HH* according to the tutorial. 
I noticed that the temperature of the system has been too high just before 
it cashed.

Could someone please help to solve the problem?

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