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
--
========================================
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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