[gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology

Justin Lemkul jalemkul at vt.edu
Fri Aug 3 17:03:16 CEST 2012

On 8/3/12 11:01 AM, bhavaniprasad vipperla wrote:
> Hi
> I tried to run the minimization step . Minimization went on well but am not confout.gro
> Is there any specific command for obtaining an confout.gro while running em.

If mdrun did not write an output .gro file, then it did not complete.  Check the 
log file; the run probably crashed.  Note that if you have used the -deffnm 
flag, the name of the file is not going to be confout.gro but will be whatever 
you've defined.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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