modified on 6 February 2014 at 15:41 ••• 3,110 views

Release64:Qmmm rename

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(Created page with "__NOTITLE__ nsamples This directive is allows to rename atoms in the QM region, based on the external file which specifies desired name( (1st column) and its PDB index (2nd co...")
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rename <filename>
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This directive is allows to rename atoms in the QM region, based on the external file which specifies desired name( (1st column) and its PDB index (2nd column)
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This directive is allows to rename atoms in the QM region, based on the external file which specifies desired name( (1st column) and its PDB index (2nd column). The file is assumed to be located in the current run directory.

Revision as of 15:19, 6 February 2014

rename <filename>

This directive is allows to rename atoms in the QM region, based on the external file which specifies desired name( (1st column) and its PDB index (2nd column). The file is assumed to be located in the current run directory.