Hi, all, I am new to Gromacs and MD. I just went through a few tutorials on Gromacs quickly. I have a question now.
I know the structure of molecule A and B, such as the atoms compositions and the relative position of the atoms and the charge. Now, I want to use 500 A and 100 B to do the simulation. I want to know how I can get the initial coordinate file or how I should start. It seems all the tutorials use either one big protein molecule the add some water or the coordinate files have been ready. Thank you very much. Cheers, Kai -- 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
