Dear friends, I would like to know how to build a simulation box in GROMACS in which I can add solvent only to the top of the surface, in order to study adsorption. In my system, the surface is always in the middle after the production step. Thanks
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Dear friends, I would like to know how to build a simulation box in GROMACS in which I can add solvent only to the top of the surface, in order to study adsorption. In my system, the surface is...
10 November 2023 9,331 0 View
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I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...
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I need to do some experiment with it in liquid form.
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Hello, Can anyone provide me with the absorption coefficient of methane gas at 7.7 um? Any reference?
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I work on MCF7 cell cell for anticaner purpose and I wa to do drug preperation the drug ( secondary metabolites extracted from Aspergillus) My question which solvent is better with these secodary...
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I conducted an adsorption experiment of arsenic on soil in the presence of different doses of silicon as competing ions to see the effect of silicon on arsenic adsorption and desorption. I took 5...
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Hello everyone, I need to dissolve stigmasterol for an animal experiment, but it hasn't dissolved in either DMSO or vegetable oil. Can anyone recommend the best solvent for stigmasterol?
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Please note it
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Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
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If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...
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