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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Received on Thu Nov 21 2019 - 12:00:02 PST
