[gmx-users] input/output error in production grompp
winterhot82 at gmail.com
Wed Jun 13 14:27:06 CEST 2012
Sorry for wrongly typing. The command I issued is: grompp -v -f hex1.mdp
-c hex1.pdb -p hex1.top -o hex1.tpr.
The error is bellow:
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<http://www.gromacs.org/Documentation/Errors>
On Wed, Jun 13, 2012 at 7:52 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> 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
>> 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
>> 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
>> website at http://www.gromacs.org/**Documentation/Errors<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.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/**
> Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before posting!
> Please don't post (un)subscribe requests to the list. Use the www
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists>
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users