Eduardo Oliveira wrote:
Hi,
I'm trying to set up a configuration file to but i keep gettin an error
after the grompp_d run. I'm using the command line as follows:
grompp_d -f stpr.mdp -c sistema_boxwater.gro -p sistema.top -o
sistema_stpr.tpr -n
Text in bold correspond to my files.
This is what i got:
File input/output error:
index.ndx
Any ideas how to solve this?
The use of -n, in the absence of an explicit file name, causes grompp (or any
other Gromacs program, for that matter) to search for the default file name,
which is "index.ndx" in this case. The error indicates that no such file exists
in the working directory.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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