[gmx-users] COM Pull energy in v. 2016.1
nedomacho at gmail.com
Wed Dec 21 06:34:24 CET 2016
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?
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