Hi,
When doing EM it is not a good idea to use restrains/constraints when
doing EM.
Try minimize without it.
Best,
Itamar
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Prediction is very difficult, especially about the future - Niels Bohr
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| Itamar Kass, Ph.D.
| Postdoctoral Research Fellow
Shalom all,
To my best understanding, there is a correction to the single precision
integration problem (A common, avoidable source of error in molecular
dynamics integrators
J. Chem. Phys. 126, 046101 (2007).) at the CVS.
I want to know were can I get it and how to install it. First, the
Justin Lemkul wrote:
Hello all,
I'm having a few more problems running an NVT ensemble on my system.
I have an
integral membrane protein, with a transmembrane helix and small
extracellular
domain. The bilayer is DPPC. I have one face of the bilayer solvated to
surround the extracellular
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