Re: Output of forces.

From: Osman Yogurtcu (karmatech_at_yahoo.co.uk)
Date: Thu Jun 26 2008 - 02:30:25 CDT

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Dear Hidekazu, I don't know which forces you want to calculate, e.g. between which atoms/blocks or vdW/electrostatic. Namd outputs the forces with some additional lines written in your standard .conf script. However, if you want to find the forces after you're done with the simulation, you would need to use "run 0" command. Here is a tutorial that you might find helpful: http://portal.ku.edu.tr/~oyogurtcu/NAMDTUT/pair.html Best, Osman ----- Original Message ---- From: Hidekazu WATANABE <evergreen_tow_at_yahoo.co.jp> To: namd-l_at_ks.uiuc.edu Sent: Thursday, 26 June, 2008 8:26:51 AM Subject: namd-l: Output of forces. Dear everyone I have a simple question today. The NAMD program products the coordinate file xxx.coor and velocity file xxx.vel by default. I'd like to make a force file. Would you show me how to create the file with forces? -------------------------------------- Power up the Internet with Yahoo! Toolbar. http://pr.mail.yahoo.co.jp/toolbar/ __________________________________________________________ Not happy with your email address?. Get the one you really want - millions of new email addresses available now at Yahoo! http://uk.docs.yahoo.com/ymail/new.html

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