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<DIV><FONT face="MS UI Gothic" size=2><FONT face="Thorndale, serif" size=3>Dear
Gromacs users;</FONT>
<P style="MARGIN-BOTTOM: 0cm"><FONT face="Thorndale, serif" size=3>I would like
to calculate the effect of mutation by Thermodynamic Integration. When editing
topology file describing the mutation from Gly (A state) to Ala (B state) for
example, I must add to topology file a raw containing both hydrogen bonded to
alpha carbon of Gly (A state) and methyl group(CH3) of Ala (B state). However,
there is no atom type corresponding to hydrogen attached to aliphatic carbon.
What atom type should I use for such hydrogen ? </FONT></P>
<P style="MARGIN-BOTTOM: 0cm"><FONT face="Thorndale, serif" size=3>Thank
you.</FONT></P>
<P style="MARGIN-BOTTOM: 0cm"><FONT face=Thorndale size=3>Hiromichi</FONT></P>
<P style="MARGIN-BOTTOM: 0cm"><FONT face=Thorndale
size=3></FONT> </P></FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2>Hiromichi Tsurui MD, PhD<BR>Dept.
Pathology, <BR>Juntendo
University<BR>Phone:81-3-5802-1039<BR>Fax:81-3-3813-3164<BR><A
href="mailto:tsurui@med.juntendo.ac.jp">tsurui@med.juntendo.ac.jp</A></FONT></DIV></BODY></HTML>