[gmx-users] Error during grompp run

[Justin Lemkul]

On Tue, Mar 19, 2013 at 10:46 AM, Kshatresh Dutta Dubey <kshatresh at ymail.com
> wrote:

> Dear Users
>
> I am using groamcs 4.4.4 and when I run grompp during equilibration
> process, it closes with error
>  " Fatal error:Topology include file "posre_Protein.itp" not found
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors"
>
> However, I found Topology include file "posre_Protein.itp" in current
> directory. I am able to successfully run previous grompp
> during minimization, but I am facing this problem during equilibration only.
>
> Please help me to get rid of this issue. I welcome all suggestions.
>
>
If grompp says it's not there, it's not there.  Check carefully for typos
in file names or #include statements as well as read permissions on the
file itself.

-Justin

-- 

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540)
231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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