On 19/10/2011 9:12 PM, francesco oteri wrote:
Dear gromacs users,
I am inspecting the charmm27.ff/ions.itp file and I noticed that the
ZN ion has a negative charge:
[ moleculetype ]
; molname nrexcl
ZN 1
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 ZN 1 ZN ZN 1 -2
Is it right?
No. Should be positive. I have fixed it for the future.
Mark
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists