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root/group/trunk/OOPSE/utils/sysbuilder/sysBuild.ggo
Revision: 678
Committed: Mon Aug 11 22:12:31 2003 UTC (20 years, 11 months ago) by chuckv
File size: 1421 byte(s)
Log Message:
Arranged sysbuilder into a subdirectory. Fixed some of sysbuilder to work with new
atom allocation in libmdtools.

File Contents

# Content
1 package "sysbuilder"
2 version "1.0"
3
4 # Options
5 option "nanoparticle" n "Build nanoparticle model" flag off
6 option "vacancies" v "Build nanoparticle with vacancies %." double no
7 option "vacancyradius" - "Radius(A) between core-shell interface to build vacancies." double no
8 option "core" - "Core model name. For a single component particle, the model for the particle." string no
9 option "shell" - "Shell model name." string no
10 option "randomparticle" - "Create an random configuration mole fraction %." double no
11 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
12 option "lipid" - "Lipid model in BASS file" string no
13 option "water" - "Water model in BASS file" string no
14 option "random" r "Build randomly oriented lipids in a sea of water" flag off
15 option "include" I "File name that should be included at the top of the output bass file." string no multiple
16 option "output" o "Output file name" string no
17 option "latticespacing" - "Lattice spacing in angstroms" double no
18 option "latticetype" - "Lattice type string. Valid types are fcc,hcp,bcc and hcp-water." string no