#!/usr/bin/env bash # -------- REQUIREMENTS: --------- # You must define your MOLTEMPLATE_PATH environment variable # and set it to the "common" subdirectory of your moltemplate distribution. # (See the "Installation" section in the moltemplate manual.) # Create the coordinates of the atoms using PACKMOL packmol < mix_lipids+water.inp # run moltemplate moltemplate.sh -xyz system.xyz system.lt # Optional: # The "./output_ttree/" directory is full of temporary files generated by # moltemplate. They can be useful for debugging, but are usually thrown away. rm -rf output_ttree/