Re: [AMBER] Force-field with only Bond parameters

From: Stefano Motta <stefano.motta.unimib.it>
Date: Fri, 22 Nov 2019 10:07:02 +0100

Thanks for your reply.
The problem was indeed the atomtype names. They cannot be 3-letters. I
changed them into two-letters and now the prmtop have been generated.

Thanks for your help,
Stefano

Il giorno gio 21 nov 2019 alle ore 20:50 David A Case <
david.case.rutgers.edu> ha scritto:

> On Thu, Nov 21, 2019, Stefano Motta wrote:
> >
> >> ** No torsion terms for Ht1-Ot3-Ti6-Ot3
>
> Is this the only error? I'm not at all sure that all parts of Amber can
> deal with 3-letter atom types. But if everything else is OK, and this
> is the only error, then the problem must be somewhere else.
>
> Before invoking saveAmberParm, use the "desc" command to explore get
> details about the atoms involved, and to explore what is the parmsets
> you have loaded.
>
> .....dac
>
>
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-- 
________________________________________________________________
Stefano Motta PhD
Email: stefano.motta.unimib.it <s.motta17.campus.unimib.it>
*Field of study:* Molecular Modeling, and Proteins Molecular Dynamics
Università degli Studi di Milano Bicocca
Department of Earth and Environmental Sciences
Piazza dell'Ateneo Nuovo, 1 - 20126, Milano (Italy).
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Received on Fri Nov 22 2019 - 01:30:02 PST
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