I am interested in setting up a water simulation but have no experience at this point in that area. I have read through the related LAMMPS documentation and from what I gathered I need to read in atom positions and molecule bonding from a data file and then apply one of the available water models (SPC, TIP3P, TIP4P).
I was wondering if anyone out there might be able to send me a simple example of a working input file and corresponding input file, and/or point me in the direction of software or other utilities that can be used to setup the data file.
Many thanks,
Dan