Dear All, I would like to consult you on the following two things: 1) I have a small, preanalysis, routine I would like to run each time a frame is written and added to the trajectory file. After some checking, I believe that, in the file "*stat.c*", the routine "*void write_xtc_traj(FILE *log,t_commrec *cr, char *xtc_traj,t_nsborder *nsb,t_mdatoms *md, int step,real t,rvec *xx,matrix box,real prec)*" is the routine actually printing each frame. Is this true or perhaps I've missed something?
2) Regarding energies - where are the energies stored? I mean the energy per type? In which file & variable is this defined? I understand that these values are printed to the log file (usually named md.log), but I failed to locate the exact functions dealing with this. Thanks, Omer. Koby Levy research group, Weizmann Institute of Science. http://www.weizmann.ac.il/sb/faculty_pages/Levy/
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