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<DIV><FONT size=2 face=Arial><SPAN class=796041615-17032010>Dear
gmx-users,</SPAN></FONT></DIV>
<DIV><FONT size=2 face=Arial><SPAN class=796041615-17032010>I'd like to perform
a molecular dynamics simulation on a protein-ligand complex, in such a way
that only residues belonging to the active site can move, whereas the
rest of the protein is kept fixed. I searched for some information about how to
do it with GROMACS, but I didn't find anything. </SPAN></FONT></DIV>
<DIV><FONT size=2 face=Arial><SPAN class=796041615-17032010>Could anybody give
me some suggestions about this subject, please?</SPAN></FONT></DIV>
<DIV><FONT size=2 face=Arial><SPAN class=796041615-17032010>Many thanks in
advance and regards.</SPAN></FONT></DIV>
<DIV><FONT size=2 face=Arial><SPAN
class=796041615-17032010>Anna</SPAN></FONT></DIV>
<DIV align=left>
<DIV align=left><FONT size=2
face=Arial>__________________________________________________________________</FONT></DIV>
<DIV align=left><FONT size=2 face=Arial>Anna Marabotti, Ph.D.</FONT></DIV>
<DIV align=left><FONT size=2 face=Arial>Laboratory of Bioinformatics and
Computational Biology</FONT></DIV>
<DIV align=left><FONT size=2 face=Arial>Institute of Food Science -
CNR</FONT></DIV>
<DIV align=left><FONT size=2 face=Arial>Via Roma, 64</FONT></DIV>
<DIV align=left><FONT size=2 face=Arial>83100 Avellino</FONT></DIV>
<DIV align=left><FONT size=2 face=Arial>Phone: +39 0825 299651</FONT></DIV>
<DIV align=left><FONT size=2 face=Arial>Fax: +39 0825 781585</FONT></DIV>
<DIV align=left><FONT size=2 face=Arial>E-mail: <A
title=mailto:amarabotti@isa.cnr.it
href="mailto:amarabotti@isa.cnr.it">amarabotti@isa.cnr.it</A></FONT></DIV>
<DIV align=left><FONT size=2 face=Arial>Skype account: annam1972</FONT></DIV>
<DIV align=left><FONT size=2 face=Arial>Web site: <A
title=http://bioinformatica.isa.cnr.it/anna/anna.htm
href="http://bioinformatica.isa.cnr.it/anna/anna.htm">http://bioinformatica.isa.cnr.it/anna/anna.htm</A></FONT></DIV>
<DIV align=left><FONT size=2 face=Arial></FONT> </DIV>
<DIV align=left><FONT size=2 face=Arial>"If you think you're too small to make a
change, try sleeping with a mosquito"</FONT></DIV></DIV>
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