No, just say
parm file.pdb
trajin file.pdb
That works for me.
On Sat, Sep 25, 2021, 2:19 PM Matthew Guberman-Pfeffer <
matthew.guberman-pfeffer.yale.edu> wrote:
> To use a parm command, I'd need a topology, right? My question was whether
> I can avoid building a topology to simply analyze the structure in a PDB.
>
> Best,
> Matthew
>
> On Sat, Sep 25, 2021 at 1:22 PM Carlos Simmerling <
> carlos.simmerling.gmail.com> wrote:
>
> > *Message sent from a system outside of UConn.*
> >
> >
> > Try using the pdb file with a parm command first, then a trajin command
> > (same pdb file)
> >
> > On Sat, Sep 25, 2021, 12:28 PM Matthew Guberman-Pfeffer <
> > matthew.guberman-pfeffer.uconn.edu> wrote:
> >
> > > How then? I tried train, but that command expects a topology. I tried
> > > loadcrd, but got an error message. Any suggestions?
> > >
> > > Best,
> > > Matthew
> > >
> > > > On Sep 25, 2021, at 12:27 PM, Carlos Simmerling <
> > > carlos.simmerling.gmail.com> wrote:
> > > >
> > > > *Message sent from a system outside of UConn.*
> > > >
> > > >
> > > > Yes, definitely
> > > >
> > > > On Sat, Sep 25, 2021, 12:09 PM Matthew Guberman-Pfeffer <
> > > > matthew.guberman-pfeffer.uconn.edu> wrote:
> > > >
> > > >> Dear Amber Community,
> > > >>
> > > >> I’d like to use some of the structural analysis tools in cpptraj,
> but
> > > >> without preparing a topology file if possible. Is it possible to
> load
> > a
> > > pdb
> > > >> directly into cpptraj?
> > > >>
> > > >> Best,
> > > >> Matthew
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Received on Sat Sep 25 2021 - 13:00:02 PDT
