trajin LIP4MD2_6NW.mdcrd.gz reference AVER_LIP4NW.pdb (where this structure was averaged over entire traj.) box x 109.471 y 109.471 z 109.471 center :1-276 origin rms reference mass out RMSFbytime.txt time 5 :1-265@CA atomicfluc out RMSFbyRES.txt :1-265 byres go