[gmx-users] grompp problem

[jahanshah ashkani]

Hi, Do you have any temp.top in your folder where you ran genbox? If is yes, you can use it instead of cals.top.

leila_ayadi at lineone.net wrote:   encountered the problem when running grompp:
Fatal error : number of coordinates in coordinate file 
does not match topology 


the em.mdp file is as follows :
;
; User spoel (236)
; Wed Nov 3 17:12:44 1993
; Input file
;


constraints = none
integrator = steep
nsteps = 100
;
; Energy minimizing stuff
;
emtol = 2000
emstep = 0.01

nstcomm = 1
ns_type = grid
rlist = 1
rcoulomb = 1.0
rvdw = 1.0
Tcoupl = no
Pcoupl = no
gen_vel = no



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