"as [gmx-mdrun] usually already removes the center of mass motion.",
"When you use this option be sure that the whole system is stored",
"in the trajectory file.[PAR]",
- "The diffusion coefficient is determined by linear regression of the MSD,",
- "where, unlike for the normal output of D, the times are weighted",
- "according to the number of reference points, i.e. short times have",
- "a higher weight. Also when [TT]-beginfit[tt] is -1, fitting starts at 10%",
+ "The diffusion coefficient is determined by linear regression of the MSD.",
+ "When [TT]-beginfit[tt] is -1, fitting starts at 10%",
"and when [TT]-endfit[tt] is -1, fitting goes to 90%.",
"Using this option one also gets an accurate error estimate",
"based on the statistics between individual molecules.",