[gmx-users] make_ndx and residue name length

[Alan Dodd]

The maximum permissible residue name length is at least 5 characters long for a tpr or gro, but the length of residue name permitted by make_ndx is only 4 characters.  And of course, pdb should have only 3 characters.  While I can change the names in a gro or a pdb quite quickly and easily, is there a way to change this in a tpr?  I'm currently getting around the problem by converting tprs to pdbs for use by make_ndx, but it's messy...  Alternatively, is there any fundamental reason why the string in make_ndx inputs is less than that for files, or can I safely bump up the relevant digit in the code and recompile?




       
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