Afira Mariam

4 Questions 1 Answers 0 Followers

Questions related from Afira Mariam

How to address the challenge of combining force field parameters?

I have generated force field parameters for solvents using AmberTools and adopted force field parameters for a lithium salt from a published paper. How can I effectively combine these two sets of...

04 June 2024 6,834 0 View

How to generate LT files?

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...

03 April 2024 6,932 0 View

Simulation of solvation structure of electrolytes using LAMMPS?

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...

20 March 2024 6,158 0 View

Structures of ionic liquid electrolytes and relevant potential????

"Could someone please suggest a website where I can find the structure of liquid electrolytes used in battery materials? I have been unable to find the required structure in resources like the...

14 February 2024 9,272 0 View