[gmx-users] regarding trjconv
aawasthi28 at gmail.com
Tue Jun 17 13:41:31 CEST 2008
RMSD and RMSF of my protein is showing abnormal flucutuation. To
overcome this problem I am using following commands-->
trjconv -f *.trr -o trajout_whole.xtc -s *.tpr -pbc whole
trjconv -f trajout_whole.xtc -o trajout_nojump .xtc -pbc nojump
but this second command is showing fatal error:
Index 334 is larger than the number of atoms in the
trajectory file (330)
pls help me to understand this and to sort out this problem.
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