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<P><FONT size=2>Hi All<BR><BR>I have a question regarding slow-growth free
energy simulations using gmx.<BR>I understand dgdl.xvg generated is the
dG/dlambda-vs-lambda plot and integrating it wrt lambda shoud give the required
deltaG.<BR><BR>Am wondering why the unit of dG/dl in the generated dgdl.xvg file
is " kJ/mol/<STRONG>nm^2</STRONG>/lambda " instead of " kJ/mol/lambda "
?<BR><BR>Does the integrated value need to be multiplied by another factor to
get the final deltaG ?<BR><BR>Thnx!<BR>Sandeep<BR><BR>ps: am using
gmx3.2.1<BR><BR>---<BR>Reseach Associate<BR>Computational Biology
Group<BR>Bioinformatics Institute<BR>Singapore<BR><BR><A
href="http://www.bii.a-star.edu.sg/~ssomani/">http://www.bii.a-star.edu.sg/~ssomani/</A></FONT>
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