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<DIV dir=ltr><FONT face=Arial color=#000000 size=2>Hi.</FONT></DIV>
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<DIV dir=ltr><FONT face=Arial color=#000000 size=2>Looking at the list of building blocks available in GROMACS (<A href="http://www.gromacs.org/Documentation/File_Formats/Gromacs_Building_Blocks?highlight=building+blocks">http://www.gromacs.org/Documentation/File_Formats/Gromacs_Building_Blocks?highlight=building+blocks</A>) you can find ATP as well as MG. So having a ATP-MG-complex in your simulation shouldn't be a problem.</FONT></DIV>
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<DIV dir=ltr><FONT face=Arial size=2>Regards,</FONT></DIV>
<DIV dir=ltr><FONT face=Arial size=2>Felix</FONT></DIV></DIV>
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<FONT face=Tahoma size=2><B>Von:</B> gmx-users-bounces@gromacs.org im Auftrag von Sajad Ahrari<BR><B>Gesendet:</B> Mi 27.04.2011 10:52<BR><B>An:</B> gromacs user forum<BR><B>Betreff:</B> [gmx-users] MG-ATP<BR></FONT><BR></DIV>
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<DIV style="FONT-SIZE: 12pt; COLOR: rgb(0,0,0); FONT-FAMILY: arial, helvetica, sans-serif">dear users</DIV>
<DIV><FONT class=Apple-style-span face="arial, helvetica, sans-serif" size=3>is "MG-ATP" known to gromacs ? in my pdb structure I have ADP and MG, apart from each other and not being </FONT><FONT class=Apple-style-span face="arial, helvetica, sans-serif">crystallized</FONT><FONT class=Apple-style-span face="arial, helvetica, sans-serif" size=3> in the right place. can i omit them and replace ADP's with MG-ATP? or I should introduce this topology to gromacs?</FONT></DIV>
<DIV><FONT class=Apple-style-span face="arial, helvetica, sans-serif" size=3>regards</FONT></DIV>
<DIV><FONT class=Apple-style-span face="arial, helvetica, sans-serif" size=3>sajad </FONT></DIV>
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