On Wed, Apr 07, 2021, Gustavo Seabra wrote:
>
>Thanks a lot Dan and Matias for their answers. The problem really is more
>complicated than one would initially imagine. I believe I've found a way
>that seems to work for me, and mostly skipped LEaP. so far, the files are
>woring and the simulation is running fine.
Neat idea! We need to figure out a way to get workflows like this into the
documentation.
...thanks....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Apr 07 2021 - 14:00:02 PDT
