Dear Gromacs users, I have a problem on understanding where the origin of the coordinate system is. Is it at one corner of the box, at the center of the box, or somewhere else? The box type I'm using is truncated octahedral.
I tried to find the minimum and maximum coordinates of a system (including proteins+water), and it turned out that the minimum was close to 0 and the maximum was close to the length of the box vector. This meant the origin was at a corner of the box. But in my analyses, when I pretended that the origin was at the center of the box, the result appeared to be very good. And the much worse resulted when I used the origin at a corner of the box. If there is any idea, it would be very useful for me. Have a nice week, nslam ____________________________________________________________________________________ Be a PS3 game guru. Get your game face on with the latest PS3 news and previews at Yahoo! Games. http://videogames.yahoo.com/platform?platform=120121 _______________________________________________ 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
