I have a problem in preparing the system of solution of glucose and water. When I convert the file into lammps data file using moltemplate then it is showing 71 number of atom types though I have only 26 (glucose=24 and water=2) types. I think, this is because my force field file(gromos54a7) contains 71 atoms. How to get rid of this error or can I continue running with this data file? Please advise.
It's difficult to tell what's going on without more information.
However, before proceeding, please download the example I sent in
my previous reply to your older post. (It was titled "There are no
atoms in your system".) Try downloading the files, running
moltemplate, running lammps, and let me know if you run into problems.
(Instructions for doing this are in the email I posted).
Then see if you can adapt this to work with your current system
(containing water as well as glucose).
If not, then post a reply to this message containing your input
files, and I will take a look.