[gmx-users] (no subject)

Jodi Fangman jodi-fangman at uiowa.edu
Wed Nov 19 23:44:01 CET 2003

Thank you for your help and the new ions.itp information. I used this new file 
and still recieved the error message No moleculetype K+(or NA+ or Na+) found. 
Do you have any idea why this is still happening? I included the part of my 
topology that I edited to see if there was anything wrong with it. 

; Include Position restraint file
#ifdef POSRES
#include "posre.itp"

; Include water topology
#include "ions.itp"
#ifdef FLEX_SPC
#include "flexspc.itp"
#include "spc.itp"

; Position restraint for each water oxygen
[ position_restraints ]
;  i funct       fcx        fcy        fcz
   1    1       1000       1000       1000

[ system ]
; Name
[ molecules ]
; Compound        #mols
Protein             1
SOL              4513
NA+                 4
CL-                 4

Thank you

Jodi Fangman
Robertson Lab
University of Iowa
51 Newton Rd, 4-403 BSB
Iowa City, IA 52242
Ph: (319)335-6516

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