<font size="2">Dear all,<br> RMSD and RMSF of my protein is showing abnormal flucutuation. To overcome this problem I am using following commands--><br> trjconv -f *.trr -o trajout_whole.xtc -s *.tpr -pbc whole <br>
<br clear="all"></font> trjconv -f trajout_whole.xtc -o trajout_nojump .xtc -pbc nojump<br><br> but this second command is showing fatal error:<br> Index[35] 334 is larger than the number of atoms in the trajectory file (330)<br>
pls help me to understand this and to sort out this problem.<br><br> Thank you<br> Anamika<br><br>