Hello everyone, Is there any advantage of using NPT ensemble over NVT? Seems people doing simulation with gromacs like to use NPT (for protein + solvent system). However, for NPT, there is one parameter "compressibility" which is tricky to choose; for NVT, it is so simple. Can anyone give me some suggestion or explanation on this part? Thank you very much in advance!
Sincerely Pan Wu
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