Dear all,
In one of my simulations, total charge of the system is a noninteger number
(like +15.996). I neutralized it with 16 chlorine atoms. I am using periodic
boundary conditions. If I use the charge as it is, is it means infinite
negative total charge on the system?
Actually, when I check the simulation output parameters, it seems every thing
okay..I am just curious if it's some thing wrong..
Serdar
__________________________________________________________
Gesendet von Yahoo! Mail.
Dem pfiffigeren Posteingang.
http://de.overview.mail.yahoo.com_______________________________________________
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
