I am working on liquid electrolytes. I generated GAFF parameters by using AmberTools. Now, I am trying to create LT files from Moltemplate. I am discussing my issue here in the hope that someone can assist. Initially, I generated the dmc. lt file by using this command
"mol22lt.py -i dmc.mol2 -o dmc. lt -name dmc -ff MyForceField --ff-file my_force_field"
When I tried to generate myforcefield.lt file using the command below,
"amber2lt.py --in frcmod.dmc --name MyForceField \
>>my_force_field.lt" I encountered this error Format Error: Expected (‘MASS’, ‘MASSES’). Found ‘BOND’. (Split file and use --bond, --angle, --dihedral, --improper arguments instead.) Also, how do I generate a master file (system. lt) when I have both OPLSAA and GAFF parameters? Thank you