[gmx-users] regarding trjconv

Anamika Awasthi aawasthi28 at gmail.com
Tue Jun 17 13:41:31 CEST 2008


Dear all,
            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[35] 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.

       Thank you
             Anamika
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