Hi all, I am simulating a system of protein and water. My protein is composed of 2 monomers, each monomer has its own C- and N-terminus, so there are 2 N-terminals and 2 C-terminals. I have a pdb of two monomers as dimer.pdb.
I tried to generate topology of dimer.pdb. But 2 monomers are identified as one fragment which has one -N-terminus and one C-terminus! So the generated topology file and the total charge would be incorrect. How can I solve it? Any suggestions please? Your suggestions would be appreciated. Thanks in advance. Sincerely, Shima -- 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
