Chih-Ying Lin wrote:
Hi
I search some papers based on MD.
Most of them did not tell what the counter ions they added.
Why?
They may have been implicit solvent MD where none are added, or their
simulation system may have been neutral, or they may have used a model
physics where a net charge is acceptable, or they may have done
something wrong.
I don't think I've ever noticed a paper where the charge of a
protein/peptide went undiscussed.
Mark
_______________________________________________
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
