[gmx-users] Regarding errors.

Justin A. Lemkul jalemkul at vt.edu
Tue May 22 13:31:29 CEST 2012

On 5/22/12 1:26 PM, Seera Suryanarayana wrote:
> Dear all gromas users,
>                                   While i am running the grompp after first
> mdrun command i got the following error.
> File input/output error:
> pr.mdp
> Is there any explanation why is this happening?

It means that file doesn't exist in the working directory.

> I would appreciate any help.I am new in using MD and gromacs in particular.

Do all the tutorials you can find until basic workflows become second nature. 
Here are a few:




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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