[gmx-users] COM Pull energy in v. 2016.1

[Alex]

False alarm, sorry. Indeed, the energies have the same sign.


On 12/20/2016 10:56 AM, Alex wrote:
> I sent this question earlier, but I think it got lost somehow...
>
> I have two nearly identical simulations running on GMX 5.1.2 and GMX 
> 2016.1. The COM pull energies in the logs have opposite signs, even 
> though the pull code in the inputs is the same and basically the same 
> process is taking place for nearly identical structures. Did something 
> change in the code that now flips the sign of the energy?
>
> Thanks,
>
> Alex
>