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<DIV style="FONT: 9pt ËÎÌå"><FONT size=3>Hello gmx-users,</FONT></DIV>
<DIV><FONT size=2> </FONT><FONT size=3> I just have one
question about modifing the source code of gromacs4.0.7.For I want to
control the motion of one certain atom (e.g. atom 200).I added some codes
like <EM>"<FONT color=#ff0000>if(n==my_atom)xprime[n][d] =
x[n][d]+...;"</FONT></EM> in the functionstatic <EM>void
do_update_md()</EM> of the file<EM> gromacs-4.0.7\src\mdlib\update.c.</EM>But
when I run it Parallel (mpi run),I find that the atom serial number n isn't the
real atom serial number n on each CPU.So the code <EM>"<FONT
color=#ff0000>if(n==my_atom)"</FONT></EM> is futile.How can I achieve
it.</FONT></DIV>
<DIV>
Thank your.</DIV>
<DIV>
chuan</DIV></BODY></HTML>