Re: [AMBER] Cpptraj bond deforming

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 3 Oct 2018 13:16:34 -0400

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
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 03 2018 - 10:30:03 PDT
Custom Search