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<DIV><FONT face="Times New Roman" size=2>Hello Gromacs users,</FONT></DIV>
<DIV><FONT face="Times New Roman" size=2></FONT> </DIV>
<DIV><FONT face="Times New Roman"><FONT
size=2> I got a little problem when I
was running grmopp. I set up constraints: h-angle or all
angles </FONT><FONT size=2>and constraint algorithm: shake
</FONT></FONT></DIV>
<DIV>
<DIV><FONT face="Times New Roman" size=2>in .mdp file. Rest of parameters are
default value and I use Lysozyme as my testing protein. Then I start running
grmopp. Yet </FONT></DIV>
<DIV><FONT face="Times New Roman" size=2>program freeze after showing message "
Generated 279 of the 1225 non-bonded parameter combination........</FONT></DIV>
<DIV><FONT face="Times New Roman" size=2>......tunring all bonds and H angles
into constraints......"</FONT></DIV>
<DIV><FONT face="Times New Roman" size=2>FYI, computer didnot freeze due to
this, everything still works fine. After I check, it seems that grompp still
running......</FONT></DIV>
<DIV><FONT face="Times New Roman" size=2></FONT> </DIV>
<DIV><FONT face="Times New Roman"
size=2> Could anybody enlighten my to
resolve this problem?? Thanks!!</FONT></DIV>
<DIV><FONT face="Times New Roman" size=2></FONT> </DIV>
<DIV><FONT face="Times New Roman"
size=2>Richard</FONT></DIV></DIV></BODY></HTML>