After setting the box with editconf I the system had a charge of 16.
Does anybody
know what happend? How do I have to handle uneven charges, can I
added 1.6 counterions? I don't think so.
I assume that you meant to put 1.6 both times, not 16?
What is your system?
What is your forcefield?
If you have many different parts, which part has the non-integer
charge? (You could remake your system one piece at a time and look at
the charge)
If you have a protein, how have you handled the N- and C-termini?
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
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