[gmx-users] Extending NPT run

[Xu Dong Huang]

If I don't specify -extend (time)  , will it automatically use the time step defined in the .tpr i'm using? 
Or should I just define the time anyway ?

Thanks
Xu Dong Huang
Chemical & Biochemical Engineering
Rutgers School of Engineering 
xudongh at eden.rutgers.edu 

On Jan 27, 2013, at 9:54 PM, Xu Dong Huang <xudongh at eden.rutgers.edu> wrote:

> Thank you. I was just reading that as well, but didn't realize it could also be used to extend. I thought it was just runs that terminated early. 
> 
> Thanks
> Xu Dong Huang
> Chemical & Biochemical Engineering
> Rutgers School of Engineering 
> xudongh at eden.rutgers.edu 
> 
> On Jan 27, 2013, at 9:51 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 
>> 
>> 
>> On 1/27/13 9:49 PM, Xu Dong Huang wrote:
>>> Dear advanced users,
>>> 
>>> I'm trying determine the procedure for extending NPT run (i.e I realized the NPT run I did wasn't long enough, so I wish to run it for another million steps. ) what should I do to set up the run again continuing with the previous data?
>>> 
>> 
>> http://www.gromacs.org/Documentation/How-tos/Extending_Simulations
>> 
>> -Justin
>> 
>> -- 
>> ========================================
>> 
>> Justin A. Lemkul, Ph.D.
>> Research Scientist
>> 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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