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<br><br>> Date: Thu, 19 Mar 2009 11:51:51 +0800<br>> From: xouyang@uvm.edu<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] Questions About Gromacs<br>> <br>> Hi, there are 3 questions I want to ask.<br>> <br>> 1. I run the md from the pdb file successfully and get a .trr trajectory <br>> file. But when I load the .trr file in VMD, there is just 1 frame. I <br>> have 1000 steps and want to have every step as a frame. How can I do this?<br><br>You should specify in your mdp file how often you want to store data in the trr file (every how many steps)<br>Antonia<br><br>> 2. Since I do signal processing, I want to do wavelet-based coarse <br>> graining on the protein model. Then the big question is how can I <br>> introduce the wavelet into gromacs?<br>> <br>> 3. I want to stretch the protein, how can I do this in Gromacs? Should I <br>> do something with the .mdp file?<br>> <br>> Thanks again. I really look forward to someone's help.<br>> <br>> Xi<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 />See all the ways you can stay connected <a href='http://www.microsoft.com/windows/windowslive/default.aspx' target='_new'>to friends and family</a></body>
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