[gmx-users] error with g_dist
cma1g09 at soton.ac.uk
Mon Aug 26 22:05:10 CEST 2013
Hello all, I am trying to find the distance between 2 centres of mass using
I use the command: g_dist -s md_0_1.tpr -f md_0_1.xtc -o dist.xvg -n
but i get the error:
Molecule in topology has atom numbers below and above natoms (1707).
You are probably trying to use a trajectory which does not match the first
1707 atoms of the run input file.
You can make a matching run input file with tpbconv.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
I tried using tpbconv like suggested. But that did not help. I really need
help on this as my submission deadline is getting closer and this is the
last simulation I need..
Thank you so much in advance
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