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can you please suggest what should i do? I have pbc = xyz in my md.mdp<BR><BR>> Date: Mon, 31 Dec 2007 08:17:15 +1100<BR>> From: Mark.Abraham@anu.edu.au<BR>> To: gmx-users@gromacs.org<BR>> Subject: Re: [gmx-users] problem in bilayer simulation<BR>> <BR>> pragya chohan wrote:<BR>> > Dear Users<BR>> > I am doing membrane simulation alternating nvt and npt during production <BR>> > run. After 1250 ps the water from upper leaflet goes towards the lower <BR>> > leaflet and a very thin layer of water remains in the upper leaflet. Is <BR>> > it a common occurance or am I doing some mistake?<BR>> <BR>> Probably you are observing an artefact of periodic boundary conditions - <BR>> see http://wiki.gromacs.org/index.php/Periodic_Boundary_Conditions for <BR>> advice here.<BR>> <BR>> Mark<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 />Fly HYD-BLR for Rs.499 Log on to MakeMyTrip! <a href='http://ss1.richmedia.in/recurl.asp?pid=266' target='_new'>Check it out!</a></body>
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