Hi Riu Li,
Now, add 0.28 Na+ ion to your system.
Check your topology, it doesn't add up somewhere. The sum of the
partial charges should be integer (taken into account a rounding
error).
Cheers,
Tsjerk
On 4/23/07, Rui Li <[EMAIL PROTECTED]> wrote:
Dear all,
When I use grompp,it warns:
NOTE:
System has non-zero total charge: 1.172000e+01
So I add 12 Cl- in my system.
Then I use grompp again,it warns:
NOTE:
System has non-zero total charge: -2.799983e-01
How can I make the total charge zero?
_______________________________________________
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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
_______________________________________________
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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
