Hi What is the atom type of Nitrogen inside the molecule R-N(CH3)3 ? I check the ffG53a5.itp and ffG53a6.itp and the related Gromos FF papers.
There are 6 atom types for Nitrogen. N peptide nitrogen (NH) NT terminal nitrogen (NH2) NL terminal nitrogen (NH3) NR aromatic nitrogen NZ Arg NH (NH2) NE Arg NE (NH) My understanding is either NT or NL but not sure which is the exact one. Could anyone direct me about the decision of the atomic type? Thank you Lin _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
