Hi, Perhaps gmx-devel is a better place for this mail.
t_filenm does nothing with the algorithm flow. It's a struct to hold various input/output file names. The definition is found in some file under include/. Most analysis program follow a template as shown in share/template/template.c. What the template does, in simple words, is: it reads the trajectory frame by frame, for each frame, perform some calculation. If you want to write your own analysis program, start from one analysis program (for g_density, modify function calc_density shall only involve the real algorithm of calculating density) or the template. To understand some development work for Gromacs (not only analysis tools), I recommend Erik's talk in CSC2007. http://www.csc.fi/english/research/sciences/chemistry/courses/gmx2007 "Thursday 1.3. Workshop day 3" *Gromacs development.* Regards, Yang Ye beibei wrote: > Hi, all > Maybe since I am a newer with programming in C, I felt very difficult > in reading codes of GROMACS. I want to know the arithmetic flow of > gmx_density.c. I read many times but have no idea about it. Could > anybody tell me the arithmetic flow of gmx_density.c? And where is the > definition of t_filenm? Many thanks. > Beibei > > ------------------------------------------------------------------------ > 雅虎邮箱，您的终生邮箱！ <http://cn.mail.yahoo.com/> > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
