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Hi,<br><br>This works fine.<br>All Gromacs file format/programs are single/double compatible both ways.<br>Reading a double precision file with a single precision program,<br>or course, gives single precision results.<br>But there is probably no property that is significantly affected by this.<br><br>Berk<br><br>> Date: Wed, 26 Nov 2008 20:14:28 +1100<br>> From: Mark.Abraham@anu.edu.au<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] Using double precision files with single precision version<br>> <br>> vivek sharma wrote:<br>> > Hi All,<br>> > I had a few MD runs with double precision in gromacs, Can I use single <br>> > precision version of gromacs to play with those files e.g making movie <br>> > files and extracting h_bond information.<br>> > I am afraid if it will affect my results.<br>> <br>> I don't know whether it does work, but I suspect not. However it's <br>> trivial to compile a double-precision version, with --enable-double and <br>> --program-suffix=_d, and once installed you can use g_hbond when you <br>> want and g_hbond_d when you want.<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 />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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