Hello everyone, I got this error, attached below, while running a restrained refinement in Refmac-5.5.0109. I tried to run the refinement by removing the SCALE entries in pdb file but got the same error.
* Information from CCP4Interface script *************************************************************************** The program run with command: /home/indico/abhik/softwares/xtal/CCP4-Lin-generic /ccp4-6.1.13/bin/refmac5 XYZIN "/home/indico/abhik/structures/alfama/HB/Hem_x2_5 54_Maio11/2QSS_bov_hb_6.3_refmac15-coot-0_mo7_model.pdb" XYZOUT "/home/indico/ab hik/structures/alfama/HB/Hem_x2_554_Maio11/2QSS_bov_hb_6.3_refmac16.pdb" HKLIN " /home/indico/abhik/structures/alfama/HB/Hem_x2_554_Maio11/x2_554_5_0001_pointles s_dm1.mtz" HKLOUT "/home/indico/abhik/structures/alfama/HB/Hem_x2_554_Maio11/x2_ 554_5_0001_pointless_refmac2_model.mtz" LIBIN "/home/indico/abhik/structures/alf ama/HB/Hem_x2_554_Maio11/heme_554_may11_9_lib.cif" LIBOUT "/home/indico/abhik/st ructures/alfama/HB/Hem_x2_554_Maio11/heme_554_may11_31_lib.cif" has failed with error message At line 1117 of file /usr/local/xtal/ccp4-6.1.13/src/refmac5_/make_PDB.f Fortran runtime error: Bad value during floating point read *************************************************************************** #CCP4I TERMINATION STATUS 0 At line 1117 of file /usr/local/xtal/ccp4-6.1.13/src /refmac5_/make_PDB.f Fortran runtime error: Bad value during floating point read #CCP4I TERMINATION TIME 16 Jun 2011 18:12:48 #CCP4I MESSAGE Task failed What could be the possible reason for this error message. Thanks in advance. Abhik
