[gmx-users] NPT or NVT for calculating averaged experimental parameters

[Igor Druz]

Hi there,

Is there any consensus on whether to use NVT or NPT runs for calculating
averaged NMR parameters in water at room temperature? I have seen some
papers which use NPT, others use NVT.

Thanks you,
Igor
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111123/dcf3aae9/attachment.html>