Thanks for the tip about Gromacs reading gzipped files. I didn't know that.
Jonathan ____________________________ Jonathan Moore, Ph.D. Research and Engineering Sciences - New Products Core R&D The Dow Chemical Company 1702 Building, Office 4E Midland, MI 48674 USA Phone: (989) 636-9765 Fax: (989) 636-4019 E Mail: [EMAIL PROTECTED] -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Berk Hess Sent: Friday, March 17, 2006 12:02 PM To: [email protected] Subject: RE: [gmx-users] output frequency to dgdl.xvg >From: "Moore, Jonathan (J)" <[EMAIL PROTECTED]> >Reply-To: Discussion list for GROMACS users <[email protected]> >To: 'Discussion list for GROMACS users' <[email protected]> >Subject: [gmx-users] output frequency to dgdl.xvg >Date: Fri, 17 Mar 2006 10:51:14 -0600 > > >Is there a way to control the frequency of output to dgdl.xvg? Writing >a value every timestep is overkill and can waste significant disk space >if you're simulating many lambda points and many systems. No. But I usally don't mind having all those values (I have several microseconds). The files zip quite well though and all Gromacs programs (g_analyze) can read gzipped files. Berk. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
