run.in.min
12150ffa7397master

run.in.min
View Options

			# -------- REQUIREMENTS: ---------
			# 1) This example requires the "USER-MISC" package. (Use "make yes-USER-MISC")
			# http://lammps.sandia.gov/doc/Section_start.html#start_3
			# 2) It also may require additional features and bug fixes for LAMMPS.
			# So, after typing "make yes-user-misc" in to the shell, ...
			# be sure to download and copy the "additional_lammps_code" from
			# http://moltemplate.org (upper-left corner menu)
			# 3) Unpack it
			# 4) copy the .cpp and .h files to the src folding of your lammps installation.
			# 5) Compile LAMMPS.
			#
			# If LAMMPS complains about an "Invalid pair_style", or "Invalid dihedral_style"
			# then you made a mistake in the instructions above.



			# -- Init section --

			include system.in.init

			# -- Atom definition section --

			read_data system.data

			# -- Settings Section --

			include system.in.settings

			# -- Run section --

			dump 1 all custom 50 traj_min.lammpstrj id mol type x y z ix iy iz

			minimize 1.0e-5 1.0e-7 500 2000

			write_data system_after_min.data