[gmx-users] TPI Results differ in v4.5.7 and v4.6.1

Hi GMX Users, We are computing the chemical potential of different gas molecules in a polymer melt with the tpi integrator. The computations are done for CO2 and CH4. The previous computations were done with v4.5.5 or 4.5.7 and gave equal results. I recently switched to gromacs version 4.6.1, an

Re: [gmx-users] TPI Results differ in v4.5.7 and v4.6.1

t, IIRC, no > modifications to the TPI code were on the release notes from 4.5.X to > 4.6.X... > > We'll try to find some time to report our findings as soon as possible. > Maybe they are related. > > Best, > João > > > On Mon, Jun 24, 2013 at 10:19