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 - 11:30:02 PDT
