Dear All, I am working on some molecule and I have defined atom types with OPLSaa and all atom types really exist in oplsaa and well chosen so no approximation in choosing atom types. During grompp, I found there are dihedral param missing. e.g. N CT CT NT N CT CT N3
Is there any 'good' way of finding/assuming dihedral params for this? or I should choose values of some nearby atom types? Please suggest regards, Jiomm -- 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
