Thanks for your help, it works. And using pytraj made it much easier. But
using cpptraj or pytraj, when I try to calculate the mindist between an
atom and the group defined by :WAT.O, it says the selection involving the
solvent is empty.
On Thu, Apr 5, 2018 at 6:31 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Yes, via 'nativecontacts mindist'. See manual for full details.
>
> -Dan
>
> On Thu, Apr 5, 2018 at 5:13 PM, David Sáez <davidsaez.udec.cl> wrote:
> > Dear Amber users,
> >
> > Years ago, I used in GROMACS a tool (mindist) that allowed, given two
> > non-overlapping groups of atoms, the computation of the distance between
> > the two closest members of these groups. Do you know if this same goal
> can
> > be achieved using cpptraj?
> >
> > Thanks for your help,
> >
> > David.
> > _______________________________________________
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> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
>
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>
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Received on Sat Apr 07 2018 - 05:30:03 PDT
