Thanks for the reply
but if you see the charge group which include N and H is not an integer
10 opls_238 2 ASN N 3 -0.5 14.0067 ;
qtot 0.5
11 opls_241 2 ASN H 3 0.3 1.008 ;
qtot 0.8
24 opls_238 3 ASN N 9 -0.5 14.0067 ;
qtot 0.5
25 opls_241 3 ASN H 9 0.3 1.008 ;
qtot 0.8
so wherever NH charge group is the there the total charge is always fraction.
Is is correct to continue with this.
Thanks
_______________________________________________
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
