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Hi,<br><br>And if they fly away, you would probably rather have them come back on the other side,<br>otherwise as your simulation length increase you slab will disappear<br>(unless that is the effect you are looking for, of course).<br><br>Berk<br><br>> Date: Thu, 11 Dec 2008 09:30:16 -0200<br>> Subject: Re: [gmx-users] PBC only in xy direction<br>> From: moura@ufscar.br<br>> To: gmx-users@gromacs.org<br>> <br>> as far as your forcefield and simulation parameters are consistent with<br>> the liquid state, only a few (if any) solvent molecule should fly away<br>> from the liquid slab.<br>> Andre<br>> <br>> > Hi,<br>> ><br>> > How is it possible a vacuum layer be maintained without solvent<br>> > evaporation? (in absence of few solvent layers positionally restrained<br>> > or in absence of walls which work only in pbc=xy)<br>> ><br>> > Andrei<br>> > (maybe the question is trivial but I cannot figure out the answer)<br>> ><br>> ><br>> > On Thu, Dec 11, 2008 at 11:50 AM, Berk Hess <gmx3@hotmail.com> wrote:<br>> >> Hi,<br>> >><br>> >> This is not possible in 3.3.<br>> >><br>> >> But in practice you almost never need this,<br>> >> since it is far more efficient to use pbc=xyz and have a slab of vacuum<br>> >> in between the periodic images in z.<br>> >><br>> >> Berk<br>> >><br>> >>> Date: Thu, 11 Dec 2008 10:30:55 +0100<br>> >>> From: andreamuntean@gmail.com<br>> >>> To: gmx-users@gromacs.org<br>> >>> Subject: [gmx-users] PBC only in xy direction<br>> >>><br>> >>> Hi gmx-users,<br>> >>><br>> >>> We are using the version 3.3.3. Is there also a posibility to have pbc<br>> >>> only in xy direction (as I saw it is possible in Gromacs 4.0)? The<br>> >>> manual says nothing about that.<br>> >>><br>> >>> Thank you in advance.<br>> >>><br>> >>> Best regards,<br>> >>> Andrea<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<br>> >>> 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! MSN Messenger<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<br>> >> 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>> > 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>> 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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