Well, I haven't try it but I will. But indeed, it shouldn't give any difference. I agree the documentation needs to be improved there.
Tommy 2013/4/11 Mark Abraham <[email protected]> > It probably shouldn't do anything. However, at least the documentation > should be better here. Does it work? Does it differ from > vdw-type= Switch > vdw-modifier=None? > > Mark > > > On Thu, Apr 11, 2013 at 2:13 PM, Chrisostomos Batistakis < > [email protected]> wrote: > > > Dear all > > > > I have started simulations with the GROMACS 4.6.1, but I am bit confused > > with the application of the vdw-modifier. As far as I understand, in the > > case of : > > > > vdw-type= cut-off > > vdw-modifier-Potential-Shift > > > > the result will be a LJ potential shifted by a constant in order to be > zero > > at the cut-off distance. But in the case where: > > > > vdw-type= Switch > > vdw-modifier-Potential-Shift > > > > the Switch function already modifies the potential and the forces in > order > > to smoothly go to zero between the rvdw-switch and rdvw distances.. > > What is then the role of the vdw-modifier in the latter case? > > > > Thanks in advance > > Tommy > > -- > > gmx-users mailing list [email protected] > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > * Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to [email protected]. > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
