[gmx-users] Restart dmpc membrane

[Carl-Johan Högberg]

Ok it seems to work! Thanks.

Another question. In my .mdp file i have the option:

gen_vel = yes

When i restart my simulation with tpbconv do i get new velocities or 
does the simulation continue with the velocities in the .gro or .trr file?

Best regards
Carl-Johan



David van der Spoel wrote:

>On Tue, 2004-06-01 at 12:38, 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
>>
>>And also:
>>
>>0 steps (0 ps) remaining from first run.
>>You've simulated long enough. Not writing tpr file
>>
>>Anybody who has any suggestions how to solve this problem?
>>    
>>
>
>tpbconv -f -s -e -o -extend 1000
>  
>
>>Best regards
>>Carl-Johan
>>    
>>


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