ok Thank you On 7 déc, 14:47, Victor Ruehle <[email protected]> wrote: > Dear Marc, > > in principle everything should be in kJ/mol, but it depends slightly > on what you use. > > For the iterative stuff with csg_inverse, it depends on in which units > you gave kT in settings.xml. Force matching is in the native units of > the md program (i.e. for Gromacs in kJ/mol). csg_boltzmann is the only > programm which has kJ/mol still hardcoded. > > Best, > Victor > > 2011/12/7 [email protected] <[email protected]>: > > > > > > > > > Hi guys, > > Probably that it is dumb question, but I did not found any > > information regarding the units of the potential... For instance, when > > I compute the force plot and integrate it to obtain the potential, I > > have no idea of the y axis of this new plot... Thanks, > > > Marc > > > -- > > You received this message because you are subscribed to the Google Groups > > "votca" group. > > To post to this group, send email to [email protected]. > > To unsubscribe from this group, send email to > > [email protected]. > > For more options, visit this group > > athttp://groups.google.com/group/votca?hl=en.
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