Dear Gromacs users, I have created an include topology file (sil.itp) for a silica crystal, but the instructions in http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field leave me with a couple of unclear points. Please help!
1. This "residue" is not of type 'Protein' or 'DNA', so can I just create a new type in file residuestypes.dat? Something like "SIL Silica"? Do I actually have to declare this molecule within residuestypes.dat? 2. All the bonding info is already in the sil.itp file I just created, but do I still have to include this residue in file aminoacids.rtp? Best, Jose -- 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.
