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amber¼ÆËã×ÔÓÉÄÜ·Ö½âʱ±¨´í£ºDecompError: Mismatch in number of decomp terms! ÒÑÓÐ1È˲ÎÓë
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³æÓÑÃÇ£¬ÎÒÔÚ¼ÆËã×ÔÓÉÄÜ·Ö½âʱÓöµ½ÕâÑùµÄ´íÎó£º File "/home/amber/amber14/bin/MMPBSA.py", line 105, in <module> app.write_final_outputs() File "/home/amber/amber14/bin/MMPBSA_mods/main.py", line 643, in write_final_outputs self.normal_system, self.mutant_system, self.mut_str, self.pre) File "/home/amber/amber14/bin/MMPBSA_mods/output_file.py", line 761, in write_decomp_binding_output pb_bind.parse_all() File "/home/amber/amber14/bin/MMPBSA_mods/amber_outputs.py", line 2141, in _parse_all_csv self._parse_all_begin() File "/home/amber/amber14/bin/MMPBSA_mods/amber_outputs.py", line 1985, in _parse_all_begin raise DecompError('Mismatch in number of decomp terms!') DecompError: Mismatch in number of decomp terms! Exiting. All files have been retained. ÎÒµÄÊäÈëµÄ²ÎÊýÎļþÈçÏ£º Pairwise PB decomposition &general endframe=1, interval=1, / &pb istrng=0.100, inp=2, radiopt=0, linit=1000000, / &decomp idecomp=2, print_res="20", dec_verbose=3, / idecompÉèÖÃΪ1ºÍ2ʱ£¬¶¼»á±¨³öÕâÑùµÄ´íÎó¡£Çë½Ìһϴó¼Ò£¬Õâ¸öÈçºÎÆÆ£¿Ð»Ð»£¡ |
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Mismatch in number of decomp terms! ¾ÍÊÇ˵print_res="20"ÕâÒ»¾äÓÐÎÊÌ⣬Ӧ¸Ã°üÀ¨µ°°×ºÍÅäÌå¸÷×ÔµÄÐèÒªÊä³ö·Ö½âÄÜÁ¿µÄ²Ð»ù£¬ÀýÈçµ°°×²Ð»ùÐòÁÐΪ1-100£¬ÅäÌåΪ101£¬ÄÇôӦ¸ÃΪprint_res="20£¬101"¡£ ¾ÙµÄÀý×ÓΪµ°°×ÓëС·Ö×ÓÅäÌåµÄÄ£ÐÍ£¬Èç¹ûÊǵ°°×Óëµ°°×Ï໥×÷Óã¬Ò²ÐèÒª×öÀàËÆµÄ¸Ä¶¯¡£ |
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2Â¥2015-07-07 11:23:39
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3Â¥2015-07-07 16:07:47
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4Â¥2015-07-16 09:14:44
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5Â¥2015-07-16 22:19:46
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6Â¥2015-07-18 20:55:20
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7Â¥2016-12-07 19:23:03
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8Â¥2016-12-07 19:35:40














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