[gmx-users] Restart dmpc membrane

[Carl-Johan Högberg]

Hi

Im using the following syntax to run tpbconv:

tpbconv -s dmpc.tpr -f dmpc.trr -o dmpc100ns.tpr


Best regards
Carl-Johan



Nuno R. L. Ferreira wrote:

>On Tuesday 01 June 2004 11:38 am, Carl-Johan Högberg wrote:
>  
>
>>Hi gmx-users
>>
>>I have some problems restarting a dmpc membrane simulation. The
>>simulation has been running for 30ns and now a want to start it again.
>>When using tpbconv i get the following error:
>>
>>WARNING: The simulation uses pressure and/or temperature coupling,
>>         the continuation will only be exact when an energy file is
>>supplied
>>
>>    
>>
>
>Hi Carl
>
>What are the flags you use with tpbconv?
>
>
>  
>
>>And also:
>>
>>0 steps (0 ps) remaining from first run.
>>You've simulated long enough. Not writing tpr file
>>    
>>
>
>If you want a continuation run, you have to use the -extend flag.
>
>Regards,
>Nuno
>
>  
>
>>Anybody who has any suggestions how to solve this problem?
>>
>>Best regards
>>Carl-Johan
>>    
>>
>
>  
>


-- 
Carl-Johan Högberg
Department of Physical Chemistry
Arrhenius Laboratory
Stockholm University
S-106 91 Stockholm
Sweden
Phone: +46-8-162373