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So this means that for me it's impossible to run the simulation of a phenol in a box of chloroform with ffamber99?<br><br>> Date: Tue, 4 Dec 2007 12:01:01 -0500<br>> From: jalemkul@vt.edu<br>> To: gmx-users@gromacs.org<br>> Subject: RE: [gmx-users] ffamber_chcl3.gro<br>> <br>> Quoting Mauro Puppett <esagono@hotmail.com>:<br>> <br>> ><br>> > Hi all,<br>> > I have to run a simulation in a box of chloroform.<br>> > I've found a chcl3.itp and a chcl3_box.gro files but I'm using ffamber99<br>> > forcefield.<br>> > Is it possible to modify someway the two files above? Where can I find the<br>> > informations to do that?<br>> <br>> http://wiki.gromacs.org/index.php/Parameterization<br>> <br>> > Thanks in advance<br>> ><br>> ><br>> > _________________________________________________________________<br>> > Scarica GRATIS le emoticon della tua squadra del cuore e il calendario di<br>> > serie A!<br>> ><br>> http://www.emoticons-livemessenger.com/pages/msnitcalcio/index.htm_______________________________________________<br>> > gmx-users mailing list gmx-users@gromacs.org<br>> > http://www.gromacs.org/mailman/listinfo/gmx-users<br>> > Please search the archive at http://www.gromacs.org/search 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 http://www.gromacs.org/mailing_lists/users.php<br>> ><br>> <br>> <br>> <br>> ========================================<br>> <br>> Justin A. Lemkul<br>> Graduate Research Assistant<br>> Department of Biochemistry<br>> Virginia Tech<br>> Blacksburg, VA<br>> jalemkul@vt.edu | (540) 231-9080<br>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/<br>> <br>> ========================================<br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search 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 http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />La potenza di Windows si unisce alle opportunitą di Internet. Scarica Windows Live! <a href='http://www.windowslive.it' target='_new'>Windows Live</a></body>
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