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MCCCS Towhee
Dear Towhee-Mailing List, I would like to reproduce with the towhee software some vapor-liquid coexistence curve. As a starting point I took the towhee_input file that is in the examples of towhee (Canonical_Ensemble/wall_Water). I have successfully tested the execution of the towhee_input file, but when I change the temperature to see the variation in density, the latter remains constant even though I increased the number of steeps. However, I'm unable to reproduce the vapor-liquid curves as described...
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hamo
Dear Towhee-Mailing List, I would like to reproduce with the towhee software some vapor-liquid coexistence curve. As a starting point I took the towhee_input file that is in the examples of towhee (Canonical_Ensemble/wall_Water). I have successfully tested the execution of the towhee_input file, but when I change the temperature to see the variation in density, the latter remains constant even though I increased the number of steeps. However, I'm unable to reproduce the vapor-liquid curves as described...
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MCCCS Towhee
Dear everyone, I want to calculate the free energy of mixture (for example water + ethanol). Which software can product coordinates of unit in the towhee_initial file. Thanks.
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- hamo
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- 2020-12-31 15:57:05
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