--- trunk/tengDissertation/Appendix.tex 2006/06/07 01:49:15 2807 +++ trunk/tengDissertation/Appendix.tex 2006/06/07 02:02:44 2809 @@ -261,19 +261,19 @@ The options available for Dump2XYZ are as follows: \endfoot -h & {\tt -{}-help} & Print help and exit \\ -V & {\tt -{}-version} & Print version and exit \\ - -i & {\tt -{}-input=filename} & input dump file \\ - -o & {\tt -{}-output=filename} & output file name \\ - -n & {\tt -{}-frame=INT} & print every n frame (default=`1') \\ + -i & {\tt -{}-input} & input dump file \\ + -o & {\tt -{}-output} & output file name \\ + -n & {\tt -{}-frame} & print every n frame (default=`1') \\ -w & {\tt -{}-water} & skip the the waters (default=off) \\ -m & {\tt -{}-periodicBox} & map to the periodic box (default=off)\\ -z & {\tt -{}-zconstraint} & replace the atom types of zconstraint molecules (default=off) \\ -r & {\tt -{}-rigidbody} & add a pseudo COM atom to rigidbody (default=off) \\ -t & {\tt -{}-watertype} & replace the atom type of water model (default=on) \\ -b & {\tt -{}-basetype} & using base atom type (default=off) \\ - & {\tt -{}-repeatX=INT} & The number of images to repeat in the x direction (default=`0') \\ - & {\tt -{}-repeatY=INT} & The number of images to repeat in the y direction (default=`0') \\ - & {\tt -{}-repeatZ=INT} & The number of images to repeat in the z direction (default=`0') \\ - -s & {\tt -{}-selection=selection script} & By specifying {\tt -{}-selection}=``selection command'' with Dump2XYZ, the user can select an arbitrary set of StuntDoubles to be + & {\tt -{}-repeatX} & The number of images to repeat in the x direction (default=`0') \\ + & {\tt -{}-repeatY} & The number of images to repeat in the y direction (default=`0') \\ + & {\tt -{}-repeatZ} & The number of images to repeat in the z direction (default=`0') \\ + -s & {\tt -{}-selection} & By specifying {\tt -{}-selection}=``selection command'' with Dump2XYZ, the user can select an arbitrary set of StuntDoubles to be converted. \\ & {\tt -{}-originsele} & By specifying {\tt -{}-originsele}=``selection command'' with Dump2XYZ, the user can re-center the origin of the system around a specific StuntDouble \\ & {\tt -{}-refsele} & In order to rotate the system, {\tt -{}-originsele} and {\tt -{}-refsele} must be given to define the new coordinate set. A StuntDouble which contains a dipole (the direction of the dipole is always (0, 0, 1) in body frame) is specified by {\tt -{}-originsele}. The new x-z plane is defined by the direction of the dipole and the StuntDouble is specified by {\tt -{}-refsele}. @@ -355,19 +355,19 @@ The options available for {\tt StaticProps} are as fol \endfoot -h& {\tt -{}-help} & Print help and exit \\ -V& {\tt -{}-version} & Print version and exit \\ - -i& {\tt -{}-input=filename} & input dump file \\ - -o& {\tt -{}-output=filename} & output file name \\ - -n& {\tt -{}-step=INT} & process every n frame (default=`1') \\ - -r& {\tt -{}-nrbins=INT} & number of bins for distance (default=`100') \\ - -a& {\tt -{}-nanglebins=INT} & number of bins for cos(angle) (default= `50') \\ - -l& {\tt -{}-length=DOUBLE} & maximum length (Defaults to 1/2 smallest length of first frame) \\ - & {\tt -{}-sele1=selection script} & select the first StuntDouble set \\ - & {\tt -{}-sele2=selection script} & select the second StuntDouble set \\ - & {\tt -{}-sele3=selection script} & select the third StuntDouble set \\ - & {\tt -{}-refsele=selection script} & select reference (can only be used with {\tt -{}-gxyz}) \\ - & {\tt -{}-molname=STRING} & molecule name \\ - & {\tt -{}-begin=INT} & begin internal index \\ - & {\tt -{}-end=INT} & end internal index \\ + -i& {\tt -{}-input} & input dump file \\ + -o& {\tt -{}-output} & output file name \\ + -n& {\tt -{}-step} & process every n frame (default=`1') \\ + -r& {\tt -{}-nrbins} & number of bins for distance (default=`100') \\ + -a& {\tt -{}-nanglebins} & number of bins for cos(angle) (default= `50') \\ + -l& {\tt -{}-length} & maximum length (Defaults to 1/2 smallest length of first frame) \\ + & {\tt -{}-sele1} & select the first StuntDouble set \\ + & {\tt -{}-sele2} & select the second StuntDouble set \\ + & {\tt -{}-sele3} & select the third StuntDouble set \\ + & {\tt -{}-refsele} & select reference (can only be used with {\tt -{}-gxyz}) \\ + & {\tt -{}-molname} & molecule name \\ + & {\tt -{}-begin} & begin internal index \\ + & {\tt -{}-end} & end internal index \\ \hline \multicolumn{3}{|l|}{One option from the following group of options is required:} \\ \hline @@ -416,10 +416,10 @@ The options available for DynamicProps are as follows: \endfoot -h& {\tt -{}-help} & Print help and exit \\ -V& {\tt -{}-version} & Print version and exit \\ - -i& {\tt -{}-input=filename} & input dump file \\ - -o& {\tt -{}-output=filename} & output file name \\ - & {\tt -{}-sele1=selection script} & select first StuntDouble set \\ - & {\tt -{}-sele2=selection script} & select second StuntDouble set (if sele2 is not set, use script from sele1) \\ + -i& {\tt -{}-input} & input dump file \\ + -o& {\tt -{}-output} & output file name \\ + & {\tt -{}-sele1} & select first StuntDouble set \\ + & {\tt -{}-sele2} & select second StuntDouble set (if sele2 is not set, use script from sele1) \\ \hline \multicolumn{3}{|l|}{One option from the following group of options is required:} \\ \hline