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我在用这一步时pdb2oniom -o mmp2_full_r.gjf -resid corelist.txt -near 6 –i mmp2_full_r.pdb,出现了提示
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 582, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 582, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 579, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 579, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home//bin/taopackage//ESPT/PDB.pm line 579, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 579, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 582, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 582, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 582, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 582, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 582, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 582, <PDBFILE> line 27056.
Use of uninitialized value in printf at /home/bin/taopackage//ESPT/PDB.pm line 582, <PDBFILE> line 27056.
Successfully wrote mmp2_full_r.gjf file.
PDB2ONIOM ends.
虽然最后生成.gjf成功了 ,但是不知道问题出在哪里,求告知,谢谢
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