[gmx-users] hi

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Mon Apr 10 09:25:57 CEST 2006

> 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.


> thanking you
> santosh
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

More information about the gromacs.org_gmx-users mailing list