Hi, <div><br></div><div>I am running QMMM Using CHARMM force field. I got the following error:</div><div><p>EWALD| Summation is done by:                                               SPME</p><p> EWALD| Alpha parameter [       ANGSTROM^-1]                              0.4000</p><p> EWALD| Real Space Cutoff [          ANGSTROM]                            8.4348</p><p> EWALD| G-space max. Miller index                         80        80        80</p><p> EWALD| Spline interpolation order                                             6</p><p><br></p><p> *******************************************************************************</p><p> *   ___                                                                       *</p><p> *  /   \                                                                      *</p><p> * [ABORT]                                                                     *</p><p> *  \___/     PSF_INFO| CHE :: Unimplemented keyword in CP2K PSF/UPSF format!  *</p><p> *    |                                                                        *</p><p> *  O/|                                                                        *</p><p> * /| |                                                                        *</p><p> * / \                                                      topology_psf.F:138 *</p><p> *******************************************************************************</p><p><br></p><p>
















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). </p><p>Thanks,</p></div>