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<body class='hmmessage'><div style="text-align: left;">Hi,<br><br>I have never heard of GROMOS 53b6. Does it exist?<br><br>The only "vacuum" GROMOS force field I know of is 43b1.<br>I just removed 43b1 from Gromacs, since it is not at all a vacuum force field.<br>It was intended to simulate solvated protein with implicit solvent.<br>Effectively the only change was that charged sidechains were neutralized.<br><br>For simulations in vacuum one should use a standard GROMOS (or other)<br>force field. NOT 43b1, since it was actually designed to mimic solvation.<br><br>Berk.<br><br></div><br><br><br><hr id="stopSpelling">> Date: Fri, 27 Jun 2008 10:45:15 +1000<br>> From: s4026869@student.uq.edu.au<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] ff53b6 for GROMACS 3.3.X?<br>> <br>> Hi,<br>> <br>> I'm wondering ff53b6 is available with GROMACS or if anyone has it or is <br>> the a script available to convert the GROMOS FF to the required setup <br>> for use in GROMACS?<br>> <br>> I'm doing some development work in vacuum.<br>> <br>> Cheers<br>> <br>> Mitch<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 />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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