<div dir="rtl"><div dir="ltr">Hi all,</div><div dir="ltr">I was wandering if anyone knows of a problem with gromacs 4.0.7 when it comes to its RMSD tool. After running a 44 ns simulations on a soluble protein I used g_rms to calculate RMSD . The results did not seem to make sense ( >30 angstrom at some time points). After running pbc-mol and center on the same xtc file and re-running the g_rms command, with the exact same syntax I got a dramatic difference in RMSD results (no time point >1 angstrom). </div>
<div dir="ltr">Has anyone else encountered such a problem?</div><div dir="ltr">And if so how can I correct it without modifying the xtc files?</div><div dir="ltr">Thanks,</div><div dir="ltr">Gideon</div></div>