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<DIV><FONT face=Arial size=2><SPAN
class=593140419-28032011>Gmx-users,</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=593140419-28032011></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN class=593140419-28032011>I am in the process
of deciding on a force field library for a MD simulation. In reading Lemkul et
al I get the impression that</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN class=593140419-28032011>GROMOS96 43A1 is
probably the one to use. I am trying to do a simulation with a ligase
that binds ADP, 2Mg, D-alanine and D-lactate. From
these</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN class=593140419-28032011></SPAN></FONT><FONT
face=Arial size=2><SPAN class=593140419-28032011> authors, I have the
impression that PRODRG is probably not the way to go. Are there
other possibilities? or should I stick to 43A1? Comment</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=593140419-28032011>Thx.</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=593140419-28032011></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN class=593140419-28032011>Frank
Neuhaus </SPAN></FONT></DIV>
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