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没尾巴的猴子铁虫 (小有名气)
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[求助]
mmpbsa.pl计算结合能
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用mm_pbsa.pl计算结合能,始终出现 mm_pbsa.pl snapshot.in > snapshot.log File MAKE_CRD is not found For details see: http://ambermd.org/Questions/mm_pbsa.html#test_file_not_found 进入他提供的网站: One of the files required for the calculation could not be found. The files that are required and the associated aliasses can be found in the file $AMBERHOME/src/mm_pbsa/mm_pbsa_global.pm. Check the existence of the file that is associated with the reported alias, e.g. the alias MAKE_CRD is used for the executable make_crd_hg which is used to extract snapshots from trajectories. 这种情况应该怎么解决啊??? |
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2楼2018-11-07 20:13:58