Hi all, I have a trivial question, What is the best box type and size for a big protein such as BSA (attached .pdb) to minimize computational cost? what is the rule of thumb re the protein distance to box wall? This protein is around 16 nm in x direction and 6nm in y. https://drive.google.com/file/d/0B0YMTXH1gmQsdGd2Z2xtVENzZkk/view?usp=sharing
Cheers James -- 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.