[CP2K-user] SF_INFO| CHE :: Unimplemented keyword in CP2K PSF/UPSF format

[Chunli Yan]

Hi, 

I am running QMMM Using CHARMM force field. I got the following error:

EWALD| Summation is done by:                                               
SPME

 EWALD| Alpha parameter [       ANGSTROM^-1]                              
0.4000

 EWALD| Real Space Cutoff [          ANGSTROM]                            
8.4348

 EWALD| G-space max. Miller index                         80        80      
  80

 EWALD| Spline interpolation order                                         
    6


 *******************************************************************************

 *   ___                                                                   
    *

 *  /   \                                                                  
    *

 * [ABORT]                                                                 
    *

 *  \___/     PSF_INFO| CHE :: Unimplemented keyword in CP2K PSF/UPSF 
format!  *

 *    |                                                                    
    *

 *  O/|                                                                    
    *

 * /| |                                                                    
    *

 * / \                                                      
topology_psf.F:138 *

 *******************************************************************************


I don't know what cause this problems. I can run successfully with NAMD 
using the same psf/pdb (ogg1.psf and prod1.pdb) and force field file 
(par_all36_all.prm). 

Thanks,
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