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CG Minimization
- bond_007
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4 years 5 months ago #8311
by bond_007
CG Minimization was created by bond_007
Hello,
I am trying to minimize a system consisting of two Proteins in solution. For minimization I am using the 'cg' method in GROMACS. However, this method is not able to converge since it encounters errors due to failure in constraints.
How can I solve this problem? Can I remove the constraints completely and then minimize it?
I am trying to minimize a system consisting of two Proteins in solution. For minimization I am using the 'cg' method in GROMACS. However, this method is not able to converge since it encounters errors due to failure in constraints.
How can I solve this problem? Can I remove the constraints completely and then minimize it?
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- riccardo
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4 years 5 months ago #8313
by riccardo
Replied by riccardo on topic CG Minimization
Please check (at least) these threads:
md.chem.rug.nl/index.php/component/kunen...ng-up-lincs-warnings
www.cgmartini.nl/index.php/component/kun...-energy-minimisation
md.chem.rug.nl/index.php/component/kunen...ng-up-lincs-warnings
www.cgmartini.nl/index.php/component/kun...-energy-minimisation
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