[gmx-users] Freeze backbone & Pressure scaling more than 1%

[Mark Abraham]

이진희 wrote:
> 
> 
> Dear all
> 
>  
> 
> When I run produnction run using freeze backbone in GROMACS 4.0.5, the 
> error was shown.
> 
> But I didn't use freeze backboone, the error wasn't shown.
> 
> ------------------------------------------------
> 
> Step 1 Warning: Pressure scaling more than 1%.
> 
> ------------------------------------------------
> 
> I changed "tau_p" value from 0.5 to 5 in md.mdp file, but the above 
> error was shown.
> 
> I don't know how to solve it. Any one give some advice.

Provide a full description. What's the system, how big is it, how did
you equilibrate it, why/how are you freezing the backbone, does the run
finish, does the trajectory look ok?

Mark