Hello GROMACS USERS, Does any one have a document/manual/link that describes the name-number atom type mappings employed in opls-aa?
I would like to build some molecules and specify their parameters, but I see different of numbers for the same atom type name, e.g: TYPE NAME 135 CT 136 CT 137 CT 157 CT I can deduce that 135 is CH3-, 136 is R-CH2-, and 137 is RRCH- by looking at topology files. Thanks, Austin- -- 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
