Hi, I'm attempting to simulate "polyethylene" using OPLS. I'm using the files from:
https://www.mail-archive.com/gmx-users@gromacs.org/msg19683.html I can process gencofig these files, however when I try to grompp, I get the error: ERROR 1 [file topol.top, line 162]: No default Proper Dih. types This error correlates to the dihedral "HC-CT-CT-CT", however, in the OPLS bonded parameters file, the dihedral is written out as "CT-CT-CT-HC", so I'm not sure why grompp is not processing this. Does this dihedral need to be reversed? If I have not included enough information, please let me know. Thanks for the help. -- 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.
