[gmx-users] Restart dmpc membrane

Nuno R. L. Ferreira nunolf at ci.uc.pt
Tue Jun 1 12:46:56 CEST 2004

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.


> 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
"Do not worry about your difficulties in maths.
 I can assure you that mine are still greater."

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