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Use g_polystat.<br><br>Berk<br><br><hr id="stopSpelling">From: Zuzana.Benkova@savba.sk<br>To: gmx-users@gromacs.org<br>Date: Thu, 18 Feb 2010 19:20:10 +0100<br>Subject: [gmx-users] end-to-end distance<br><br><div style="font-family: 'Times New Roman'; font-size: 16px;">Dear GROMACS users, <br><br>I have a system of 64 chains and want to calculate averaged values of end-to-end distance of all chains as well as the averaged radius of gyration from 1ns trajectory. In the case of end-to-end distance I have prepared index file containing one group of the first atoms in ascending order and the second one containing the terminal atoms in ascending order. I have used g_dist but it looks like it combined all pairs between both groups. I have looked at the mailing list but did not find the answer. <br><br>Is it possible to do such analysis using directly GROMACS tools or I need to prepare some scripts with loops running over all chains. Thank you for response in advance.<br><br>Zuzana Benkova<br></div> <br /><hr />New Windows 7: Find the right PC for you. <a href='http://windows.microsoft.com/shop' target='_new'>Learn more.</a></body>
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