New version of gcmc part of code
- apsantos
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8 years 10 months ago #19
by apsantos
Dear developers,
My adviser, Prof. A. Panagiotopoulos, informed me that Prof. Maginn mentioned that there may be an updated version of Cassandra, in regards to the GCMC part of the code. Would it be possible get this version, or would someone mind mentioning which subroutine(s) (deletion/insertion, driver, ...) were/needed to be changed? A few of us are using Cassandra to perform GCMC simulations of surfactant molecules with n>9 chains, if that is relevant information. We would really appreciate any help. Also, thank you for developing Cassandra. It is a great tool for our research!
Sincerely,
Andrew Santos
Graduate student in the AZP Lab
Princeton University
My adviser, Prof. A. Panagiotopoulos, informed me that Prof. Maginn mentioned that there may be an updated version of Cassandra, in regards to the GCMC part of the code. Would it be possible get this version, or would someone mind mentioning which subroutine(s) (deletion/insertion, driver, ...) were/needed to be changed? A few of us are using Cassandra to perform GCMC simulations of surfactant molecules with n>9 chains, if that is relevant information. We would really appreciate any help. Also, thank you for developing Cassandra. It is a great tool for our research!
Sincerely,
Andrew Santos
Graduate student in the AZP Lab
Princeton University
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