Hello,
My apollogies, the drift is present whether I use tabulated potentials
or not. The email's title I chose is misleading. If I am not mistaken I
am using a buffer when I put rcut= 1.0 and rlist=1.3 , but this was not
entirely clear to me using with the manual.
Sergio
El 05/09/2017
Hello,
Thank you very much for your thoughtfull response. The structural
properties seem to be represented correctly so I guess it should work. I
know that drifts are something we must live with but since it appeared
when changing the system to a tabulated potential+a group cutoff I was
not sure
Dear GROMACS Community,
I am trying to do a simulation using a tabulated potential which forces
me to use the group cut-off. I get a drift in the conserved quantity of
-600KJ/mol/ns. My system consists of 1000 rigid TIP4P water molecules
and a Na+ ion. I imagine that eventhough it will soon be
