Thanks david!
Abu Naser School Of Life Sciences Heriot-Watt University Edinburgh EH14 4AS Email: [EMAIL PROTECTED] Phone: +44(0)1314518265 Fax : +44(0) 131 451 3009 -----Original Message----- From: [EMAIL PROTECTED] on behalf of David van der Spoel Sent: Thu 27/09/2007 7:17 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] make_ndx Naser, Md Abu wrote: > Hi XAvier, > > "Single out" I mean pick up only the side chain bonded with alpha > carbon atom and > put them in a group using make_ndx. > all side chains are. and sidechain is a default group. > With regards, > > > Abu Naser > > School Of Life Sciences > Heriot-Watt University > Edinburgh EH14 4AS > Email: [EMAIL PROTECTED] > Phone: +44(0)1314518265 > Fax : +44(0) 131 451 3009 > > > > > > > -----Original Message----- > From: [EMAIL PROTECTED] on behalf of Xavier Periole > Sent: Wed 26/09/2007 8:42 PM > To: Discussion list for GROMACS users > Subject: Re: [gmx-users] make_ndx > > On Wed, 26 Sep 2007 20:08:06 +0100 > "Naser, Md Abu" <[EMAIL PROTECTED]> wrote: > > Hi All User, > > > > Is there anyway I can single out side chain of alpha carbon atom using > >make_ndx? > > What do you mean by "single out" > and with "side chain of alpha carbon" ? > > > > > Thanks in advance. > > > > Abu Naser > > > > School Of Life Sciences > > Heriot-Watt University > > Edinburgh EH14 4AS > > Email: [EMAIL PROTECTED] > > Phone: +44(0)1314518265 > >Fax : +44(0) 131 451 3009 > > > > > > > > > > ----------------------------------------------------- > XAvier Periole - PhD > > 1- Institute of Molecular Assemblies > City University of New York - USA > 2- Molecular Dynamics-Group > University of Groningen - The Netherlands > http://md.chem.rug.nl/~periole > ----------------------------------------------------- > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- David. ________________________________________________________________________ David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: 46 18 471 4205 fax: 46 18 511 755 [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php