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 - 10:30:02 PDT
