Dear gromacs community, Is there a way to get the detailed force components from a simple Ewald analysis? I am interested in the individual contribution by real space, fourier and the intra-correction terms. "g_traj -f traj.trr -of " merely gives me total force which is not useful for me. If someone can point out the details and locations of such calculations in the code that also would be great. I could locate ewald.c, but couldnt find the erf function and intramolecular terms.. :(
thanks, Isabel PhD Candidate, Livingston University. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
