[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080617/62d68114/attachment.html>

More information about the gromacs.org_gmx-users mailing list