[gmx-users] There was 1 error in input file(s)

Justin Lemkul jalemkul at vt.edu
Tue Feb 19 13:59:24 CET 2013

On 2/19/13 4:29 AM, 라지브간디 wrote:
> Dear GMX users,
> I have done nvt part and then start to do npt part for my protein but it shows error like
> Fatal error:
> There was 1 error in input file(s)
> Please how can avoid this?

Fix the error :)  In seriousness, no one can help you unless you provide 
relevant information.  At minimum, that requires the actual error message (which 
grompp will have printed out earlier in the screen output).  You should also 
consult http://www.gromacs.org/Documentation/Errors, where all of the most 
common errors and their solutions are described.



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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