trajin mdcrd10.gz #---------------------------------------------------------------# # radius of gyration commands #radgyr out ala10.gyr @CA time 0.0001 #---------------------------------------------------------------# # RMS deviation commands #rms first out ala10.rms time 0.0001 @CA #---------------------------------------------------------------# # sECONDARY STRUCTURE secstruct out ala10.ss #---------------------------------------------------------------# # sECONDARY STRUCTURE #distance EE :2@CA :11@CA out ala10.EE time 0.0001 #---------------------------------------------------------------# # hydrogen bond analysis commands #donor mask :2-11@O #acceptor mask :2-11@N :2-11@H #hbond distance 3.5 #---------------------------------------------------------------#