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i want to ask you question about how can i deprotonate or use deprotonated cysteine because I have protein with “cys” in active site, and I want to use deprotonated<BR>“cys”. when i run “pdb2gmx “ no option appearing of choosing Cys deprotonated state possibility <BR><BR>
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Subject: RE: [gmx-users] antechamber topologies to gromacs format<BR>Date: Sun, 27 Jul 2008 18:33:46 +0800<BR>From: NGUY0045@ntu.edu.sg<BR>To: aninditagayen@yahoo.co.in; gmx-users@gromacs.org<BR>CC: <BR><BR>
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<DIV dir=ltr><FONT face=Arial color=#000000 size=2>Dear Gayen,</FONT></DIV>
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<DIV dir=ltr><FONT face=Arial size=2>Please refer to this page for more information <A href="http://chemistry.csulb.edu/ffamber/tools.html" target=_blank>http://chemistry.csulb.edu/ffamber/tools.html</A></FONT></DIV>
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<FONT face=Tahoma size=2><B>From:</B> gmx-users-bounces@gromacs.org on behalf of ANINDITA GAYEN<BR><B>Sent:</B> Sun 7/27/2008 6:18 PM<BR><B>To:</B> gmx-users@gromacs.org<BR><B>Subject:</B> [gmx-users] antechamber topologies to gromacs format<BR></FONT><BR></DIV></DIV>
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<FONT size=2>does anyone know how to conver amber topologies produced by antechamber to gromacs format?<BR><BR><BR><BR>Waiting for response<BR><BR>Anindita Gayen<BR>Senior Research Fellow<BR>University of Calcutta<BR><BR><BR> Bring your gang together. Do your thing. Find your favourite Yahoo! group at <A href="http://in.promos.yahoo.com/groups/" target=_blank>http://in.promos.yahoo.com/groups/</A><BR><BR>_______________________________________________<BR>gmx-users mailing list gmx-users@gromacs.org<BR><A href="http://www.gromacs.org/mailman/listinfo/gmx-users" target=_blank>http://www.gromacs.org/mailman/listinfo/gmx-users</A><BR>Please search the archive at <A href="http://www.gromacs.org/search" target=_blank>http://www.gromacs.org/search</A> before posting!<BR>Please don't post (un)subscribe requests to the list. Use the<BR>www interface or send it to gmx-users-request@gromacs.org.<BR>Can't post? Read <A href="http://www.gromacs.org/mailing_lists/users.php" target=_blank>http://www.gromacs.org/mailing_lists/users.php</A><BR></FONT><BR></DIV><br /><hr />Téléchargez le nouveau Windows Live Messenger ! <a href='http://get.live.com/messenger/overview' target='_new'>Téléchargez Messenger, c'est gratuit !</a></body>
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