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MD/ab initio for polymer solubility?
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=706&th=274#msg_706
I've looked here: opensourcemolecularmodeling . github . io/README . html#quantum-chemistry and needless to say I'm a bit out of my depth. Which of these programs are relevant to solubility, and where do they stand in terms of cost/precision trade-off?
My institution also gives me access to the complete Schrodinger suite as well as HSPiP (although the latter's most basic methods don't work too well). Should I use these instead, perhaps with Y-MB method?]]>muu92019-11-11T20:26:44-00:00Re: MD/ab initio for polymer solubility?
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=707&th=274#msg_707
Chemistry (https://chemistry.stackexchange.com/) which has a broad spectrum of readers.
Because users may gauge their interest to special topics, you may increase the likelyhood
of assistance by adding labels relevant to your question (tags), for example «polymers»,
«computational chemistry», «solubility», «molecular-dynamics». If you may demonstrate
briefly what you tried on your own to solve the problem, chances are even higher to
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