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Jelisa / mut_prep4pele

A python module to prepare and mutate .pdb files to run simulations of PELE
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Solve isssue #21 #22

Closed Jelisa closed 6 years ago

Jelisa commented 6 years ago

Changes to be committed: modified: checks_module.py The script has been modified to correct a typo that made the program fail to remove the atom HXT. This solves the issue #21