Hi I am going to simulate the lysozyme with some ligand in the low ionic strength phosphate buffer .
The buffer condition will be (pH 7.2, 8.3 mM) and (pH 5.0 , 8.3 mM) For the buffer condition (pH 7.2, 8.3 mM), I will use TIP3P water model and use CL- ions to nutralize the lysozyme (+8) and cationic ligands. Does my setting make sense? Do you have any suggestion about this ? Thank you Lin _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
