NAMD dcd file contain information of coordinates. Unit cell information is
in different file name is xsc.
Is there any other way to save file with coordinates and peroidic box?
On Wed, Oct 3, 2018 at 10:55 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Does the trajectory have unit cell information? Are you perhaps
> loading as Amber Coordinates and not Amber Coordinates with periodic
> box?
> On Wed, Oct 3, 2018 at 1:12 PM Aashish Bhatt <aashish.ph16221.inst.ac.in>
> wrote:
> >
> > I have downloaded cpptraj from GitHub and version is v18.01.
> >
> > Regards
> >
> > Aashish
> >
> > On Wed, 3 Oct 2018, 10:24 p.m. Daniel Roe, <daniel.r.roe.gmail.com>
> wrote:
> >
> > > What version of cpptraj are you using?
> > >
> > > On Wed, Oct 3, 2018 at 10:53 AM Aashish Bhatt <
> aashish.ph16221.inst.ac.in>
> > > wrote:
> > >
> > > > Dear Amber User
> > > >
> > > > I have NAMD dcd trajectory file and i want to convert namd dcd into
> > > amber
> > > > mdcrd file.
> > > > When i try the command :
> > > >
> > > > http://archive.ambermd.org/201703/0206.html
> > > > cpptraj -p <topology> -y <input dcd> -x output.mdcrd
> > > >
> > > > The command is running but my structure is deforming.
> > > >
> > > >
> > > > Regards
> > > > Aashish
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Received on Wed Oct 03 2018 - 11:00:04 PDT
