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<DIV dir=ltr><FONT face=Arial color=#000000 size=2>Hi Tsjerk,</FONT></DIV><FONT face=Arial color=#000000 size=2></FONT></DIV>
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<DIV dir=ltr><FONT face=Arial color=#000000 size=2>Thanks for the link. I have been wondering how to select roto-translation option. Is it in the mdp file?</FONT></DIV>
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<DIV dir=ltr><FONT face=Arial size=2>With regards,</FONT></DIV></DIV>
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<DIV RE>Abu Naser
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<DIV RE>School Of Life Sciences </DIV>
<DIV RE>Heriot-Watt University </DIV>
<DIV RE>Edinburgh EH14 4AS </DIV>
<DIV RE>Email: <A href="mailto:mn2@hw.ac.uk" target=_blank>mn2@hw.ac.uk</A></DIV>
<DIV RE>Phone: +44(0)1314518265 </DIV>
<DIV RE>Fax : +44(0) 131 451 3009 </DIV>
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<FONT face=Tahoma size=2><B>From:</B> Tsjerk Wassenaar<BR><B>Sent:</B> Wed 26/04/2006 12:05 PM<BR><B>To:</B> Discussion list for GROMACS users<BR><B>Subject:</B> Re: [gmx-users] comm-mode = Angular<BR></FONT><BR></DIV>
<DIV>Hi Abu,<BR><BR>In fact, I have it implemented in two versions (3.1.4 and 3.2.1), but haven't contributed it to the official code yet. At this point I don't have the time either :S However, you can download my versions at <A href="http://md.chem.rug.nl/~tsjerk/GMX/" target=_blank>http://md.chem.rug.nl/~tsjerk/GMX/</A><BR><BR>Cheers,<BR><BR>Tsjerk<BR><BR>
<DIV><SPAN class=gmail_quote>On 4/26/06, <B class=gmail_sendername>Naser, Md Abu</B> <<A href="mailto:mn2@hw.ac.uk" target=_blank>mn2@hw.ac.uk</A>> wrote: </SPAN>
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<DIV dir=ltr><FONT face=Arial color=#000000 size=2>Hi Tsjerk,<BR></FONT></DIV>
<DIV dir=ltr><FONT face=Arial color=#000000 size=2>I have been wondering whether Andrea Amadei and coworkers' method (</FONT></DIV>
<DIV dir=ltr><FONT face=Arial size=2>J. Chem. Phys. 112(1) pp. 9-23) has been implemented in Gromacs yet.</FONT></DIV>
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<DIV dir=ltr><FONT face=Arial size=2>With regards,</FONT></DIV>
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<DIV>Abu Naser
<DIV><PRE></PRE>
<DIV>School Of Life Sciences </DIV>
<DIV>Heriot-Watt University </DIV>
<DIV>Edinburgh EH14 4AS </DIV>
<DIV>Email: <A href="mailto:mn2@hw.ac.uk" target=_blank>mn2@hw.ac.uk</A></DIV>
<DIV>Phone: +44(0)1314518265 </DIV>
<DIV>Fax : +44(0) 131 451 3009 </DIV>
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<FONT face=Tahoma size=2><B>From:</B> David van der Spoel<BR><B>Sent:</B> Tue 25/04/2006 7:32 PM<BR><B>To:</B> Discussion list for GROMACS users<BR><B>Subject:</B> Re: [gmx-users] comm-mode = Angular<BR></FONT><BR></DIV>
<DIV><PRE>Naser, Md Abu wrote:<BR>> Hi All,<BR>> <BR>> Dose anyone know any literature regarding comm-mode = Angular option?<BR>it just sets the overall angular momentum to zero.<BR><BR>> With regards,
<BR>> Abu Naser<BR>> <BR>> School Of Life Sciences<BR>> Heriot-Watt University<BR>> Edinburgh EH14 4AS<BR>> Email: <A href="mailto:mn2@hw.ac.uk" target=_blank>
mn2@hw.ac.uk</A> <mailto:<A href="mailto:mn2@hw.ac.uk" target=_blank>mn2@hw.ac.uk</A>><BR>> Phone: +44(0)1314518265<BR>> Fax : +44(0) 131 451 3009<BR>>
<BR>> <BR>> <BR>> <BR>> <BR>> <BR>> ------------------------------------------------------------------------<BR>> <BR>> _______________________________________________<BR>> gmx-users mailing list
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</A><BR><BR><BR>-- <BR>David.<BR>________________________________________________________________________<BR>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<BR>Dept. of Cell and Molecular Biology, Uppsala University.
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</PRE></DIV></DIV><BR>_______________________________________________<BR>gmx-users mailing list <A href="mailto:gmx-users@gromacs.org" target=_blank>gmx-users@gromacs.org</A><BR><A href="http://www.gromacs.org/mailman/listinfo/gmx-users" target=_blank>http://www.gromacs.org/mailman/listinfo/gmx-users</A><BR>Please don't post (un)subscribe requests to the list. Use the<BR>www interface or send it to <A href="mailto:gmx-users-request@gromacs.org" target=_blank>gmx-users-request@gromacs.org</A>.<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><BR></BLOCKQUOTE></DIV><BR><BR clear=all><BR>-- <BR><BR>Tsjerk A. Wassenaar, M.Sc.<BR>Groningen Biomolecular Sciences and Biotechnology Institute (GBB)<BR>Dept. of Biophysical Chemistry<BR>University of Groningen <BR>Nijenborgh 4<BR>9747AG Groningen, The Netherlands<BR>+31 50 363 4336<BR></DIV></BODY></HTML>