[gmx-users] Restart dmpc membrane

[Nuno R. L. Ferreira]

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

-- 
**********************************************
Nuno Ricardo Santos Loureiro da Silva Ferreira
Grupo de Química Biológica 
Departamento Química
Universidade de Coimbra
Portugal
www.biolchem.qui.uc.pt
**********************************************
"Do not worry about your difficulties in maths.
 I can assure you that mine are still greater."
                                   emc2