If you convert the tpr binary into a text file, it should have every parameter in it I think?
----- Original Message ---- From: LeeHui <[EMAIL PROTECTED]> To: [email protected] Sent: Friday, February 15, 2008 4:57:13 PM Subject: [gmx-users] How to ask pdb2gmx to print all parameters in the itp file Dear all gmx users, I am converting the parameters in "itp" file into DL_POLY format, and will be using it in my own version of DL-poly. I was wondering if there is a way to ask pdb2gmx or some other utilities in Gromacs to print all the parameters into itp, so I don't have go to the database and find them out. eg. the default pdb2gmx generated itp have this format [ angles ] ; ai aj ak funct c0 c1 c2 c3 1 2 3 1 1 2 4 1 1 2 5 1 3 2 4 1 instead of leaving c0, c1.. blank, I want the exact values of them printed . Is there a way to this in Gromacs ? Thanks, Hui _________________________________________________________________ Windows Live Photo gallery 数码相机的超级伴侣，轻松管理和编辑照片，还能制作全景美图！ http://get.live.cn/product/photo.html _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php ____________________________________________________________________________________ Looking for last minute shopping deals? Find them fast with Yahoo! Search. http://tools.search.yahoo.com/newsearch/category.php?category=shopping _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
