Re: polymer topology file

From: abhijit ramachandran (abhi_adroit_at_yahoo.com)
Date: Mon Mar 23 2009 - 10:00:35 CDT

Hey Jiaqi, I dont know if there is an easy way, but here is the link to topology tutorial and other tutorials: http://www.ks.uiuc.edu/Training/Tutorials/ Topology File Tutorial (html) (pdf, 4.4M ) (required tutorial files [.tar.gz, 11.2M], [.zip, 11.2M], individual files) Guides users in how to create topology and parameter information needed for molecular dynamics simulations when it otherwise doesn't exist, by using existing topology information for other molecules without the need for new parameter development.  Requires VMD, NAMD suggested as well. Tutorial works on Windows, Mac, and Unix/Linux platforms. hope it helps. Abhi ________________________________ From: accomp lin <accomplin_at_yahoo.com.cn> To: namd-l_at_ks.uiuc.edu Sent: Monday, 23 March, 2009 7:41:38 AM Subject: namd-l: polymer topology file Dear all How can I create a psf file for polymer such as dendrimer, do I have to build the whole molecular in the topology file?  . It has so many repeat unit , so I think there should be an easy way to do this. And  where can I find the topology tutorial? Thanks in advance. Jiaqi ________________________________ 好玩贺卡等你发,邮箱贺卡全新上线! Add more friends to your messenger and enjoy! Go to http://messenger.yahoo.com/invite/

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