Re: [gmx-users] Force Field Charge Parameters

Nancy wrote: The OPLS-AA force field is used for glucose and trehalose in conjunction with other force fields in the article by Sukit Leekumjorn and Amadeu K. Sum: "Molecular Dynamics Study on the Stabilization of Dehydrated Lipid Bilayers with Glucose and Trehalose". J. Phys. Chem. B, 2008

Re: [gmx-users] Force Field Charge Parameters

The OPLS-AA force field is used for glucose and trehalose in conjunction with other force fields in the article by Sukit Leekumjorn and Amadeu K. Sum: "Molecular Dynamics Study on the Stabilization of Dehydrated Lipid Bilayers with Glucose and Trehalose". J. Phys. Chem. B, 2008, 112 (34), pp 10732

Re: [gmx-users] Force Field Charge Parameters

Nancy wrote: Hello, I have successfully minimised and equilibrated two systems, one consisting of a single molecule of ethylene glycol (1,2-ethanediol) in a water box, and the other is one molecule of glycerol, also in a water box. I am planning to proceed to simulate other sugar alcohols

[gmx-users] Force Field Charge Parameters

Hello, I have successfully minimised and equilibrated two systems, one consisting of a single molecule of ethylene glycol (1,2-ethanediol) in a water box, and the other is one molecule of glycerol, also in a water box. I am planning to proceed to simulate other sugar alcohols (e.g. erythritol, ar