Dear Dr. Bozidar Yerkovich, I have added topology of HYP into top.lib, and modified restyp.lib(using "o" as residue code for HYP). But when I did modelling, it reported the following errors and warnings. addprm__223E> Array too small. Increase MBNDPF recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1 getf_______W> RTF restraint not found in the atoms list: getf_______W> RTF restraint not found in the atoms list: getf_______W> RTF restraint not found in the atoms list: iatmcls_286W> MODEL atom not classified: ALA:OT1 ALA iatmcls_286W> MODEL atom not classified: ALA:OT2 ALA r_stere_607W> Cannot find params in params file: addprm__440W> Adding params (mean,force,period): 1.5431 300.0000 1 r_stere_607W> Cannot find params in params file: addprm__440W> Adding params (mean,force,period): 3.0698 300.0000 1 r_stere_607W> Cannot find params in params file: addprm__440W> Adding params (mean,force,period): 1.0924 300.0000 1 r_stere_607W> Cannot find params in params file: addprm__440W> Adding params (mean,force,period): 3.8828 300.0000 1 r_stere_607W> Cannot find params in params file: addprm__440W> Adding params (mean,force,period): 66.6866 60.0000 1 r_stere_607W> Cannot find params in params file: addprm__440W> Adding params (mean,force,period): 111.1069 60.0000 1 .......
How could I fix these problem? I attach an uuencoded compressed tar archive of all input and output files. Thank you very much! With best regards, Kong Lesheng
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