Hi,

I aim to conduct MD simulations using LAMMPs. I am trying to convert MOL2 and FRCMOD files into the moltemplate file format (LT). Initially, I generated LT files for my molecules, but I am encountering difficulties in creating a master file that defines the structure of the system and inputs commands to run NVT. Below are the commands that I am using :

amber2lt.py --in dmc.frcmod --name MyForceField \ >> my_force_field.lt( i found this file is always empty in my case) mol22lt.py --in dmc.mol2 \ --out dmc.lt \ --name dmc \ --ff MyForceField \ --ff-file my_force_field.lt (this file is always empty)

anyone who can help me. thank you

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