# RMS deviation of moving part of solute
FILES_IN
  PARM   p1 stbtcap.top;
  STREAM s1 traj/md01.crd;
FILES_OUT
  TABLE  t1 md01.rms;
DECLARE
  GROUP  g1 (RES 5-17,25,27-44,59-81,89-101,104,105,107-119,
	     142,163-170,172,174-181,195-201,212-214,
	     216,228,230,333-336,338-350,438,448-450,
	     468-470,472,479); 
  RMS    r1 g1;
  GROUP  g2 ((GROUP g1) & (ATOM NAME C CA N));
  RMS    r2 g2;
  GROUP  g3 (RES 479);
  RMS    r3 g3;
  RMS    r4 FIT g3;
OUTPUT
  TABLE  t1 r1 r2 r3 r4;
END