#tail -5189 silica_water_NVT-pos-1.xyz  > silica_water_NVT-pos-1_last.xyz
#vim silica_water_NVT-pos-1_last.xyz
  #to add avgpos:R:3 & Library=../all_res.CHARMM.lib
#cp ../cp2k_input.template .
#~/QUIP_20100224/build.linux_x86_64_ifort_icc_serial/cp2k_filepot silica_water_NPT_Y-pos_1000800.xyz silica_water_NVT-pos-1_last.out have_silica_potential=T cp2k_program=~/cp2k_danny_20091116/exe/Linux-x86-64-intel/cp2k.sdbg Run_Type=MM PSF_Print=DRIVER_PRINT_AND_SAVE clean_up_files=F save_output_files=F > out

#or

#~/QUIP_20100224/build.linux_x86_64_ifort_icc_serial/xyz2pdb File=silica_water_NPT_Y-pos_1000800.xyz Residue_Library=all_res.CHARMM.lib have_silica_potential=T

