[gmx-users] concatenating 2 xtc files

Kavyashree M hmkvsri at gmail.com
Thu Aug 1 08:12:34 CEST 2013

Dear users,

I ran a simulation for 25ns. First 5ns in 8 core machine
and late part in 64 cores. It ran without any problem. The
trajectories were concatenated, jumps are removed and
rmsd was calculated. But there was sudden jump in the
rmsd curve. Is it wrong to run simulations in different
cores like this?

Thank you

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