VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Thu Feb 12 2015 - 03:49:52 CST

i dont understand why you are using this:

(-vdw || -elec || -nonb)

just

-nonb

will give you the vdw as well as the elec between the two selections.

On Thu, Feb 12, 2015 at 10:15 PM, Viswanath Pasumarthi <
v.pasumarthi_at_iitg.ernet.in> wrote:

> > please attach your script file directly -- instead of copying --- please
> > send here instead of drop box, cause I cant see them there -- just the
> > original script you use where you have the namdenergy plugin being
> called.
>
> IntEnergy.tcl - where namdenergy plugin is being called
> This script is being run after loading the psf and dcd files.
>
> >
> > On Thu, Feb 12, 2015 at 10:00 PM, Ashar Malik <asharjm_at_gmail.com> wrote:
> >
> >>
> >> ​Ok now we are on the same page and agree what the error is -- let me
> >> look
> >> at your scripts --
> >>
> >>
> >>
> >> --
> >> Best,
> >> /A
> >>
> >
> >
> >
> > --
> > Best,
> > /A
> >
> 

-- 
Best,
/A