Thanks so much , Justin. I will try. -Xianghong Qi On Wed, Oct 22, 2008 at 7:41 AM, Justin A. Lemkul <[EMAIL PROTECTED]> wrote:
> > > xianghong qi wrote: > >> Thanks, so how to edit a residue name ? I am confused. sorry about such >> simple question. >> > > Use a text editor. Be sure to keep the formatting right when doing so: > > http://www.wwpdb.org/documentation/format32/sect9.html > > -Justin > > -Xianghong Qi >> >> On Tue, Oct 21, 2008 at 9:01 PM, Mark Abraham <[EMAIL PROTECTED]<mailto: >> [EMAIL PROTECTED]>> wrote: >> >> xianghong qi wrote: >> >> Hello, everyone, >> I want to create a pdb file for methane pair . I can make >> methane pair from MOE and then save to pdb file format without >> any residue name there. >> The question is that I can't convert pdb file to .gro file from >> gromacs without residue name. Anyone has any idea about this >> question. I appreciate >> your help. >> >> >> You don't need a .gro file for itself.. see >> >> http://wiki.gromacs.org/index.php/Coordinate_File#On_the_need_for_a_.gro_file >> >> You'll need a residue name to get a topology defined, so edit one in. >> >> Mark >> _______________________________________________ >> gmx-users mailing list [email protected] >> <mailto:[email protected]> >> 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] >> <mailto:[EMAIL PROTECTED]>. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> >> >> >> >> -- >> Some people make the world more special just by being in it. >> >> >> ------------------------------------------------------------------------ >> >> _______________________________________________ >> gmx-users mailing list [email protected] >> 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 >> > > -- > ======================================== > > Justin A. Lemkul > Graduate Research Assistant > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > > _______________________________________________ > gmx-users mailing list [email protected] > 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 > -- Some people make the world more special just by being in it.
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