[gmx-users] RE: xmgrace

[Justin A. Lemkul]

Baofu Qiao wrote:
> mdrun -s topol.tpr
> 

I think that is exactly the problem.  Either "mdrun -s topol.tpr" or simply 
"mdrun" is being invoked (to use default I/O names), but topol.tpr does not 
exist, so mdrun fails.  Hence why it is important to always include the command 
line you're using when asking for help :)

-Justin

> BTW: take a look at "mdrun -h "
> 
> bharat gupta wrote:
>> Thanks sir
>>
>> But there is one problem that when I am running the mdrun step of 5th
>> step of lysozyme tutorial,  I am getting an error :-
>>
>> Can not open file:
>> topol.tpr
>>
>> Can u tell me how to rectify it ..
>>   
> 

-- 
========================================

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

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