On Mon, Feb 03, 2025, Кунина, Елизавета Игоревна via AMBER wrote:
>
>I'm trying to run a simulation using LES with noe restraints. I have
>prepared topology and coordinate files for LES, restraints for LES. But an
>error occurs when reading the topology file:
>
>* NOT FOUND **%**FLAG BOND_FORCE_CONSTANT*
>
>But it's definitely in our file:
>….
>
> 17474 17477 17480 17483
>
>*%FLAG BOND_FORCE_CONSTANT*
I think we need a small example that illustrates this behavior, including
the prmtop and inpcrd files you are using, and the exact sander.LES input
(mdin) file and and command-line arguments you used.
...regards....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 03 2025 - 10:30:03 PST
