Hello GROMACS users!
I would like to preform arithmetic operations on trajectories which are output from GROMACS simulations (e.g., to multiply the velocity of atom 1 by that of atom 2, and average over time). I have read in the mailing lists references to g_traj and other functions, but think the more straightforward approach is to write a C code that can access the GROMACS trajectory data and perform what I ask it to. This is said to be done using the template C code in "template.c". Can anyone send me a SIMPLE example of such a C program? The file "template.c" has many comments, but I find it hard to understand. If anyone has a simpler example along the lines of my interests, please send me it! Thanks very much in advance, -- Inon Sharony ינון שרוני +972(3)6407634 atto.TAU.ac.IL/~inonshar Please consider your environmental responsibility before printing this e-mail. _______________________________________________ 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
