Hello Sir,
Could u pls guide me which format should i convert into ?
Which one would be best for windows and Amber simulations..
Thanks!
On Fri, Dec 3, 2021 at 9:50 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> On Fri, Dec 3, 2021 at 9:21 AM Carlos Simmerling
> <carlos.simmerling.gmail.com> wrote:
> > for a list of the format keywords and automatic extensions, look at this
> > page:
> > https://amber-md.github.io/cpptraj/CPPTRAJ.xhtml#tab:cpptraj-trajformats
> >
> > there is no need to convert to dcd, pdb or other non-amber formats
> (unless
> > that's what you want to do, of course).
>
> Some points in favor of using the DCD format on windows is that being
> binary, it will be smaller than the ASCII format and will process
> faster. However, if you need it to be human readable for some reason
> use the ASCII format. Make sure you are using an up-to-date version of
> cpptraj to do the conversion (from AT21 is fine, but GitHub
> preferred).
>
> -Dan
>
> >
> > On Fri, Dec 3, 2021 at 5:52 AM ankita mehta <mehtaroadies.gmail.com>
> wrote:
> >
> > > Hello,
> > > I am trying to load the trajectory files .mdcrd files in vmd on
> windows.
> > > My simulations were run on Amber.
> > > But everytime i load the files , the following error message is
> displayed
> > > on the vmd windows.
> > > It says " problem reading the crd file".
> > > I followed following steps:
> > > 1. select "new molecule "
> > > 2. Load "parm file " and select file type as "Amber parm 7".
> > > 3. Then load the trajectory file as "mdcrd" file and select file type
> as "
> > > Amber coordinates' '.
> > > 4. error message displays on the VMD windows "Problem reading CRD
> file".
> > >
> > > P.S. - -I have a windows operating system.
> > >
> > > Any help is appreciated !
> > >
> > > TIA!
> > > Ankita
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Received on Mon Dec 06 2021 - 03:30:02 PST
