--- trunk/tcProps/tcProps.h 2004/02/13 22:13:06 1052 +++ trunk/tcProps/tcProps.h 2004/03/03 15:16:15 1080 @@ -2,13 +2,14 @@ enum atomNames { HEAD, CH, CH2, CH3, SSD }; #define __TCPROPS_H__ -enum atomNames { HEAD, CH, CH2, CH3, SSD }; +enum atomNames { HEAD=0, CH, CH2, CH3, SSD, COM }; struct atomCoord{ enum atomNames type; double pos[3]; double vel[3]; double u[3]; + double mass; };