[gmx-users] Restart dmpc membrane

[David van der Spoel]

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
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone:  +46 18 471 4205  fax: +46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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