[gmx-users] Constraining positions according to B-factors

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Jan 15 07:32:45 CET 2016


Hey,

Under the assumption that the B-factor is caused by some atom-specific
force that keeps it pinned to a certain position?

Cheers,

Tsjerk
On Jan 15, 2016 01:18, "Irem Altan" <irem.altan at duke.edu> wrote:

> Hi,
>
> I was wondering if it was possible to constrain protein atom positions
> according to their B-factors, so that their RMS displacement during the
> simulation will be compatible with their B-factors. If so, could you point
> me towards a helpful resource?
>
> Best,
> Irem
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