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<DIV>¡·Has this force field been demonstrated to be effective >for this sort
of<BR>>simulation? If not, maybe you've begun to demonstrate >that it
isn't?<BR><BR>>Mark</DIV>
<DIV> </DIV>
<DIV><FONT face=Ó×Ô² color=#008000>Yes , you are quite right. In GMX manual 3.2,
at the end of chapter 4, it was said that gromos96 is not, however,
recommended for use with long alkanes and lipids.</FONT><BR></DIV>
<DIV><FONT face=Ó×Ô² color=#008000>So user has to validate force parameters. Now
the problem is for a periodic boundary system, the density is ok but the Rg is
too small. I feel the parameters for proper dihedrals need to be improved. Is it
right?</FONT></DIV>
<DIV><FONT face=Ó×Ô² color=#008000></FONT> </DIV>
<DIV><FONT face=Ó×Ô²
color=#008000>*************************************************<BR>Ji
Qing<BR>Institute of Chemistry, Chinese Academy of Sciences<BR>Tel:
0086-10-62562894
£¬82618423<BR>*************************************************</FONT></DIV></BODY></HTML>