[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]

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

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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