You mean BI over a single molecule in vacuum?
Instead of sd integrater can md integrator (but still in NVT ensemble) be used
in IBI ( bonded and nonbonded or either of them) and still have good results?
You received this message because you are subscribed to the Google Groups
To unsubscribe from this group and stop receiving emails from it, send an email
To post to this group, send email to email@example.com.
Visit this group at https://groups.google.com/group/votca.
For more options, visit https://groups.google.com/d/optout.