Hi Andrea,
This is my .top file
more 1ppbfree.top
;
; File '1ppbfree.top' was generated
; By user: ozge (502)
; On host: druggrid
; At date: Thu Mar 15 23:17:25 2007
;
; This is your topology file
; ALPHA-THROMBIN (E.C.3.4.21.5) COMPLEX W
;
; Include forcefield parameters
#include "ffG43a1.itp"
; Include chain topologies
#include "1ppbfree_H.itp"
#include "1ppbfree_L.itp"
; Include water topology
#include "spc.itp"
#ifdef POSRES_WATER
; Position restraint for each water oxygen
[ position_restraints ]
; i funct fcx fcy fcz
1 1 1000 1000 1000
#endif
; Include generic topology for ions
#include "ions.itp"
[ system ]
; Name
ALPHA-THROMBIN (E.C.3.4.21.5) COMPLEX W in water
[ molecules ]
; Compound #mols
Protein_H 1
Protein_L 1
SOL 8695
Thank you very much again and again...
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