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<DIV><FONT face=Arial size=2><SPAN class=227210208-09112006>Dear
All,</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN class=227210208-09112006>I want to do MD for
a protein crystal containing Mn^2+ ion. Because gromacs has not provided the
force field for Mn^2+ ion, I want simply delete Mn ion and then run
MD. Will this lead any consequences making the MD results
unacceptable? If so, what else should I do instead? </SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=227210208-09112006></SPAN></FONT> </DIV>
<DIV align=left>
<DIV align=left><FONT face="Times New Roman" size=4>Zhongqiao Hu</FONT></DIV>
<DIV align=left><FONT face="Times New Roman"></FONT> </DIV>
<DIV align=left><FONT face="Times New Roman">Lab E5-04-27</FONT></DIV>
<DIV align=left>
<DIV align=left><FONT face="Times New Roman">Tel: 65161946(O)</FONT></DIV></DIV>
<DIV align=left><FONT face="Times New Roman">Department of Chemical and
Biomolecular Engineering</FONT></DIV>
<DIV align=left><FONT face="Times New Roman">National University of
Singapore</FONT></DIV>
<DIV align=left><FONT face="Times New Roman">117576, Singapore</FONT></DIV>
<DIV align=left><FONT face="Times New Roman"></FONT> </DIV></DIV>
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