Hello,
I am using AmberTools18.
Thanks
On Thu, Sep 20, 2018 at 3:01 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> What version of cpptraj are you using?
>
> -Dan
> On Mon, Sep 17, 2018 at 4:54 PM Sourav Purohit <sour000.gmail.com> wrote:
> >
> > Hello all,
> >
> > I am simulating a protein-DNA complex.
> > I used the folllowing command to calculate the residue-wise contact map
> of
> > the contacts between the protein and the DNA :
> >
> > trajin 1-combined.trj
> > nativecontacts :1-60 :61-93 byresidue map mapout 1-contact-map.dat
> >
> > residue id 1-60 correspond to DNA, while 61-93 correspond to protein.
> >
> > Is the command line correct or is something needed to be added to this.
> >
> > The output contact map is a 93 X 93 matrix.
> > As two masks are specified should we not get a 60 X 33 matrix as the
> output?
> > Does this command also calculate the intra-mask contacts?
> >
> > Thanks in advance for your help and suggestions.
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Received on Thu Sep 20 2018 - 09:30:02 PDT
