Hi all,
I had simulate charged polymers and surfaces, and is very common to have interaction of ion bridge (or ionic crosslinking) which consist of and interaction of two equally charged groups bind by a cation or anion. For example in two polymers with carboxilic negative groups bind with a sodium cation: COO- Na+ COO-
I have my own code for this but is really slow and demaning when I have tons of folders of simulation.
Therefore I ask if in gromacs you can calculate these kind of interactions like a mindist or similar to take advantage of?
kind regards
DR QUEZADA!! From low up to middle concentrations, salt bridges between Ca2+ ions and ... sheet fluorescence intensity as a segmentation-free analysis to quantify the ... and belongs to the SNARE protein family with a biological function in synaptic ... using the GROMACS tool gmx sasa (0.14 nm solvent probe radius).
Article Concentration Dependent Ion-Protein Interaction Patterns Und...
Article Molecular Dynamics Simulation of a Dipalmitoylphosphatidylch...
https://www.nature.com/articles/s41598-018-31935-z
Regards--
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