[gmx-users] Re: Step 6 of lysozyme tutorial

[Tsjerk Wassenaar]

Hi Bharat,

Besides the notes of Justin, which lysozyme tutorial?
And for which GMX version was that tutorial written?

Tsjerk

On Sat, Jan 30, 2010 at 12:53 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
> bharat gupta wrote:
>>
>> Hi
>>
>> I am getting the follwing error while running the mdrun command given
>> in the step six of the lysozyme tutorial :-
>>
>>
>> Program mdrun, VERSION 4.0.7
>> Source code file: gmxfio.c, line: 737
>>
>> Can not open file:
>> topol.tpr
>> -------------------------------------------------------
>>
>> "This Doesn't Suck, It's a Black Hole !" (K.A. Feenstra)
>>
>>
>>
>> Can anybody tell me where i will find this topol.tpr file ???
>
> You don't find it anywhere - you were surely supposed to create it with
> grompp in the prior step.  If some previous step failed then this input
> wouldn't have been generated.  Read all messages printed to the screen
> carefully.
>
> -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
>
> ========================================
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
>



-- 
Tsjerk A. Wassenaar, Ph.D.

Computational Chemist
Medicinal Chemist
Neuropharmacologist