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<DIV><FONT face="MS UI Gothic" size=2>Dear all,</FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2></FONT> </DIV>
<DIV><FONT face="MS UI Gothic" size=2>I tried Martini force field and found it
calculates with a good result in appearance</FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2>for a *specific* c</FONT><FONT
face="MS UI Gothic" size=2>alculation prepared at the Martini
website.</FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2></FONT> </DIV>
<DIV><FONT face="MS UI Gothic" size=2>Now, I wish to use another small molecule
(such as lipid) for CG simulation.</FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2>Starting from the chemical structure, I
draw it with </FONT><FONT face="MS UI Gothic" size=2>MarvinSketch </FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2>and save as pdb. After this I want to make
a .gro file and .itp file</FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2>which is compatible for Martini force
field. Can u give me instruction</FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2>for that? Or need (or find if
possible) experimental data to tune the</FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2>parameter? For my simulation the atomic
simulation leads to </FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2>segmentation fault (Memory: 2GB) and i
feel the CG is necessary.</FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2></FONT> </DIV>
<DIV><FONT face="MS UI Gothic" size=2>Else if Martini is not
useful for more general calculation,</FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2>let me know the alternative
approach for CG calculation</FONT></DIV>
<DIV><FONT face="MS UI Gothic" size=2>with GROMACS.</FONT> </DIV>
<DIV><FONT face="MS UI Gothic" size=2></FONT> </DIV>
<DIV><FONT face="MS UI Gothic" size=2>taka</FONT></DIV>
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