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/* |
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File autogenerated by gengetopt version 2.11 |
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generated with the following command: |
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gengetopt -i Dump2XYZ.ggo |
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/home/maul/gezelter/tim/bin/gengetopt -F Dump2XYZCmd |
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The developers of gengetopt consider the fixed text that goes in all |
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gengetopt output files to be in the public domain: |
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printf(" -r, --rigidbody add a pseudo COM atom to rigidbody \n (default=off)\n"); |
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printf(" -t, --watertype replace the atom type of water model \n (default=on)\n"); |
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printf(" -g, --ignore=atomtype ignore the atom types\n"); |
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printf(" -s, --selection=selection script general selection syntax(now only support \n select atoms within a specified range)\n"); |
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printf(" -s, --selection=selection script selection syntax:\n" |
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" select DMPC -- select DMPC molecule\n" |
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" select DMPC.* -- select all atoms and all rigidbodies belong to DMPC molecule(same as above)\n" |
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" select not DMPC -- select all atoms and all rigidbodies do not belong to DMPC molecule\n" |
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" select C* and 4 to 7 -- select stuntdoubles which match C* and which index is between [4, 7)\n" |
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" select 5 -- select stuntdobule whose global index is 5\n" |
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" select within (5.0, HDP or PO4) -- select stuntdoubles which is within 5 A to HDP or PO4\n" |
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" select DMPC.3 -- select stuntdouble which internal index is 3\n" |
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" select DMPC.DMPC_RB_*.* --select atoms belong to rigid body inside DMPC molecule \n"); |
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printf(" --repeatX=INT The number of images to repeat in the x \n direction (default=`0')\n"); |
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printf(" --repeatY=INT The number of images to repeat in the y \n direction (default=`0')\n"); |
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printf(" --repeatZ=INT The number of images to repeat in the z \n direction (default=`0')\n"); |
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ignore_new->ignore_arg = gengetopt_strdup (optarg); |
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break; |
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case 's': /* general selection syntax(now only support select atoms within a specified range). */ |
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case 's': /* general selection syntax:\n |
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select DMPC -- select DMPC molecule\n \ |
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select DMPC.* -- select all atoms and all rigidbodies belong to DMPC molecule\n \ |
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select 5 -- select stuntdobule whose global index is 5\n \ |
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select within (5.0, HDP or PO4) -- select stuntdoubles which is within 5 A to HDP or PO4\n \ |
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select DMPC.DMPC_RB_*.* --select atoms belong to rigid body inside DMPC molecule . */ |
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if (args_info->selection_given) |
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{ |
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fprintf (stderr, "%s: `--selection' (`-s') option given more than once\n", CMDLINE_PARSER_PACKAGE); |