Prepare Moltemplate LT file (.lt) from antechamber output mol2 file (.mol2) or acpype output Gromacs gro file (.gro) and itp file (.itp). mol2tolt.py works with Python 3.
Mol2 file: rr-dihydroxyoctane.mol2
Note: Atom type of mol2 file (*.mol2) should be assigned by antechamber.
$ python ./mol2tolt.py rr-dihydroxyoctane.mol2
Moltemplate LT file: rr-dihydroxyoctane.lt
Moltemplate LT file with removing first atom: rr-dihydroxyoctane-a.lt
Moltemplate LT file with removing last atom: rr-dihydroxyoctane-b.lt
Moltemplate LT file with removing first and last atoms: rr-dihydroxyoctane-c.lt
Gromacs gro file: rr-dihydroxyoctane_GMX.gro
Gromacs itp file: rr-dihydroxyoctane_GMX.itp
$ python ./mol2tolt.py rr-dihydroxyoctane_GMX.gro
Moltemplate LT file: rr-dihydroxyoctane.lt
Moltemplate LT file with removing first atom: rr-dihydroxyoctane-a.lt
Moltemplate LT file with removing last atom: rr-dihydroxyoctane-b.lt
Moltemplate LT file with removing first and last atoms: rr-dihydroxyoctane-c.lt
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