[gmx-users] input/output error in production grompp
Justin A. Lemkul
jalemkul at vt.edu
Wed Jun 13 13:52:06 CEST 2012
On 6/13/12 7:36 AM, Malai wrote:
> I used the command following to generate .tpr file for production but I got the
> following error. Without considering this error, I run production but it is
> working now. any problem will be in production?
The command below makes no sense; how is it that you were able to produce a .tpr
file for your simulation?
> -v -f hex1.mpb -c hex1.pdb -p hex1.top -o hex1.pdb
This is not the command you typed (it contains several errors, both logical and
typographical), and it certainly has nothing to do with the error below, as no
reference is made to a file called "hex1.gro." When reporting problems, please
always copy and paste directly from your terminal. Re-typing what you think you
typed is error prone and wastes time.
> Program grompp, VERSION 4.5.4
> Source code file: futil.c, line: 491
> File input/output error:
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
I/O errors occur when either a file isn't found in the working directory (i.e.
doesn't exist) or can't be produced (insufficient permission or disk space to
write the file).
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users