[gmx-users] Relating acceleration to pressure

avinash kumar avinashk.iit.kgp at gmail.com
Tue Mar 4 20:08:04 CET 2008

Hello all,

             This is more of a theoretical question than relating to
the software. My question is that when we simulate a pressure driven
system (that is I am trying to simulate a nanochannel fluid flow using
GROMACS) the pressure is being implemented by defining the group of
fluid atoms as one acceleration group and giving required
acceleration. How can we correlate a actual pressure and accleleration
of one individual particle . That is what is the statistical formula
which will give the relation.

Thanks in advance,

More information about the gromacs.org_gmx-users mailing list