Dear gmx-users, Does anyone know where can I find any explanations about the atom names in ffbonded.itp file in oplsaa.ff? I am trying to compare the amino acids' parameters in gromacs 4.5.4 with in tinker. Or where to find the default parameters gromacs takes for amino acids in its aminoacids.rtp file?
For example, it is hard to guess what are C*, C_2 and C= in ffbonded.itp file: C* HC 1 0.10800 284512.0 ; C C3 1 0.15220 265265.6 ; END C_2 C3 1 0.15220 265265.6 ; END ... C= C= HC 1 120.000 292.880 ; wlj C C= HC 1 119.700 292.880 ; Thanks! jia
-- 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
