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chuckv |
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# Input file for gengetopt --generates cmdline.c and cmdline.h |
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# for parsing command line arguments useing getopt and getoptlong. |
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# gengetopt is available from: |
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# http://www.gnu.org/software/gengetopt/gengetopt.html |
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chuckv |
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package "sysbuilder" |
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version "1.0" |
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# Options |
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option "nanoparticle" n "Build nanoparticle model" flag off |
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option "vacancies" v "Build nanoparticle with vacancies %." double no |
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option "vacancyradius" - "Radius(A) between core-shell interface to build vacancies." double no |
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option "core" - "Core model name. For a single component particle, the model for the particle." string no |
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option "shell" - "Shell model name." string no |
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option "randomparticle" - "Create an random configuration mole fraction %." double no |
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option "bilayer" - "Tries to build a basic bilayer with the specified number of lipids in the input bass file. The bilayer will be surrounded by the number of solvent molecules specified in the bass file. -note: combined with -r the simulation will start the lipids randomly oriented in a sea of water." flag off |
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option "lipid" - "Lipid model in BASS file" string no |
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option "water" - "Water model in BASS file" string no |
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option "random" r "Build randomly oriented lipids in a sea of water" flag off |
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option "include" I "File name that should be included at the top of the output bass file." string no multiple |
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option "output" o "Output file name" string no |
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option "latticespacing" - "Lattice spacing in angstroms" double no |
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option "latticetype" - "Lattice type string. Valid types are fcc,hcp,bcc and hcp-water." string no |
