Re: pair interaction

From: Osman Yogurtcu (karmatech_at_yahoo.co.uk)
Date: Sat May 17 2008 - 05:54:14 CDT

It looks like I should include the cell basis vector information in my .conf file as well. It solved the problem. ******* Hi, I have permormed a 20 ns. NAMD run and now I want to find the time evolution of force vectors between any two atoms with this .conf file: http://portal.ku.edu.tr/~oyogurtcu/gulay.conf and pair.pdb file where I include the pair_flags in the B-Factor column: http://portal.ku.edu.tr/~oyogurtcu/pair.pdb I successfully run this above .conf file. However, the forces (and energies) do not change with time. The forces and energies seem fixed. I get such an output file: http://portal.ku.edu.tr/~oyogurtcu/osman.log Does anybody have an idea of what might be the reason of this? thanks, Osman __________________________________________________________ Sent from Yahoo! Mail. A Smarter Email http://uk.docs.yahoo.com/nowyoucan.html

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