Re: [AMBER] Can a PDB be loaded directly into cpptraj without a topology?

From: Matthew Guberman-Pfeffer <matthew.guberman-pfeffer.uconn.edu>
Date: Sat, 25 Sep 2021 12:28:33 -0400

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 - 09:30:03 PDT