[gmx-users] Restart dmpc membrane
cjh at physc.su.se
Tue Jun 1 14:11:58 CEST 2004
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?
David van der Spoel wrote:
>On Tue, 2004-06-01 at 12:38, Carl-Johan Högberg wrote:
>>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
>>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
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