[gmx-users] Concerning a Fatal Error!

Justin Lemkul jalemkul at vt.edu
Sat Oct 13 12:39:32 CEST 2012

On 10/13/12 4:48 AM, Arman Mahboubi Soufiani wrote:
> Dear all friends,
> When I want to run a short EM to get my structure more stable for further
> equilibration and production steps I get the following error as outpu:
> *Library file in current dir nor  not found justPLA-em.tpr_d1.xvgin default
> directories*
> I have to note that justPLA-em.tpr is the .tpr file I created by grompp.
> I would be really thankful if anyone can help me sort this out.

Without seeing your mdrun command, it's a bit hard to guess why your .tpr file 
is being read in as a tabulated dihedral file.  Suffice it to say that something 
about your command line is wrong.



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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