How can I convert (for charge molecule design using the material studio, e.g., water molecules) .car and .mdf file to the data file? In my case, I have faced a problem. When I design using the material studio for water molecules, it has shown charge value in .car and .mdf file, but when I convert it using msi2lmp tool and get data file where the charge value of water molecules is missing.
I think in the conversion procedure using msi2lmp tool have some error. Can anyone help me? How can I solve this problem?
Thanks in advance.