Hi, I am running Gromacs 4.5.5. Can you please tell me what source code file(s) contain the code for writing the .edr file during mdrun? The manual gives a lot of information about how various quantities (e.g., pressure) are calculated, but I would like to see exactly in the code where quantities like density and pressure are computed and are written to the .edr file. I am not sure how straightforward this will be, but I just wanted to ask if you could point me in a general direction in the source code.
Thanks so much! Andrew DeYoung Carnegie Mellon University -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
