[gmx-users] hi

[Nguyen Hoang Phuong]

> hi today i have tried to run the position restrained dynamics using my tpr file
>  grompp -f pr.mdp -c 7/trp_b4pr.gro -p 1/trp.top -o 8/trp_pr.tpr
>
> But its showing the error
> Fatal error:
> number of coordinates in coordinate file (7/trp_b4pr.gro, 14580)
>              does not match topology (1/trp.top, 0)
>
>
> can anyone help me
sure! Please have a look at the files trp_b4pr.gro and trp.top. Then you
check if the number of atoms in the *gro file (written on the second
line) are the same with those in the *top file (written on the last
lines). Your can delete some atoms in the *gro files to match those of in
the *top file.

Phuong

>
> thanking you
> santosh
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