[gmx-users] Concerning a Fatal Error!
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
> 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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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