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Hi,<br><br>We were talking about flexible spc(e).<br><br>I would consider rigid spce the best simple water model<br>for biomolecular simulations.<br><br>Berk<br><br>> From: X.Periole@rug.nl<br>> Subject: Re: [gmx-users] spc_flex reference<br>> To: gmx-users@gromacs.org<br>> Date: Wed, 10 Dec 2008 22:33:37 +0100<br>> <br>> On Wed, 10 Dec 2008 17:46:07 +0100<br>> Berk Hess <gmx3@hotmail.com> wrote:<br>> > <br>> > Hi,<br>> > <br>> > There is no reference, since this is not a proper parametrized model.<br>> > Do NOT use this model for simulations.<br>> >Flexible spc and spce are only intended for energy minimization purposes.<br>> Are you sure about SPCE ? It seems you showed in one of your papers<br>> that it was actually doing pretty good!<br>> <br>> XAvier.<br>> > <br>> > Berk<br>> > <br>> >> From: sanni@theochem.uni-frankfurt.de<br>> >> To: gmx-users@gromacs.org<br>> >> Date: Wed, 10 Dec 2008 16:16:45 +0100<br>> >> Subject: [gmx-users] spc_flex reference<br>> >> <br>> >> Hello everybody,<br>> >> <br>> >> does somebody know a reference concerning the "flexible SPC " modell which <br>> >>is <br>> >> used by GROMACS ? <br>> >> <br>> >> Thank you in advance<br>> >> Sang Min <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>> > _________________________________________________________________<br>> > Express yourself instantly with MSN Messenger! Download today it's FREE!<br>> > http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/<br>> <br>> -----------------------------------------------------<br>> XAvier Periole - PhD<br>> <br>> - Molecular Dynamics Group -<br>> Computation and NMR<br>> University of Groningen<br>> The Netherlands<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 />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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