Release mm_trj-1.0.1

mm_trj/README

@@ -3,22 +3,16 @@ Version : 1.0.1
 License : GPL
 
 Usage:
-mm_radf -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -o OUTPUT [ -r MIN,MAX ] [ -rs R_STEP ] 
-                   [ -a MIN,MAX ] [ -as ANG_STEP ] [ -m ] [ -l LOGFILE ] [ -q ] [ -h ]
+mm_trj -i INPUT_TRJ -t INPUT_TYPE -s NUMBER -a INPUT_ATOMS -o OUTPUT [ -tt TOTAL_TYPES ]
+                                                            [ -l LOGFILE ] [ -q ] [ -h ]
 
 Parametrs:
-  -i          - mask of input files
-  -s          - trajectory steps (integer)
-  -c          - cell size (float), A
-  -a          - atom types (integer). Format: 'ATOM1-ATOM2' or 'A1,A2,A3-B1,B2,B3' 
-                (will enable RDF calculation for center mass automaticaly)
-  -o          - output file name
-  -r          - minimal and maximal radii for analyze (float), A. Default is '2.0,15.0'
-  -rs         - radius step for analyze (float), A. Default is '0.2'
-  -a          - minimal and maximal angles for analyze (float), deg. Default is '0.0,90.0'
-  -as         - angle step for analyze (float), deg. This option will enable RADF 
-                calculation automaticaly
-  -m          - matrix output enable
+  -i          - input file name
+  -t          - type of trajectory. Supported formats: gmx, puma
+  -s          - number of trajectory steps (integer)
+  -a          - input file with atom types. See file format in manual
+  -o          - mask of output files
+  -tt         - number of different atom types. Default is 1024
   -l          - log enable
   -q          - quiet enable
   -h          - show this help and exit