[gmx-users] small typo in ions.itp: LI+ atom is NA

Chris Neale chris.neale at utoronto.ca
Fri May 23 20:13:54 CEST 2008


I noticed this typo in ions.itp under the FF_OPLS section. It appears to 
have been present at least from 3.2.1 to 3.3.3

(the atom name for LI+ is NA)

[ moleculetype ]
; molname       nrexcl
LI+             1

[ atoms ]
; id    at type         res nr  residu name     at name  cg nr  charge   
mass
1       opls_406        1       LI+             NA       1      1       
6.941




More information about the gromacs.org_gmx-users mailing list