Dear Alan,
Thanks for the update... the workaround to correctly implement GLYCAN06 in GROMACS is very nice [
https://doi.org/10.1016/j.softx.2019.100241]... Particularly because many people is unaware of the non-uniform 1–4 scaling factor issue and just uses any force field converter to run in NAMD, GROMACS, etc, without even checking the rotamers... I've seem many of those works...
Best,
Matias
------------------------------------
PhD.
Researcher at Biomolecular Simulations Lab.
Institut Pasteur de Montevideo | Uruguay
[
http://pasteur.uy/en/labs/biomolecular-simulations-laboratory]
[
http://www.sirahff.com]
----- Mensaje original -----
De: "Alan" <alanwilter.gmail.com>
Para: "AMBER Mailing List" <amber.ambermd.org>
Enviados: Viernes, 19 de Julio 2019 14:42:22
Asunto: [AMBER] New ACPYPE server
Dear community,
Since the original server went down due to hardware obsolescence, we are
now happy to announce that finally the new ACPYPE server is up and running
in a new site hosted at
http://bio2byte.be/
http://bio2byte.com/acpype/
If you used it the past, then you'll need to register again.
If don't know what ACPYPE is but you're a looking for a way to speed up the
process of generating topologies for unusual small molecules like
inhibitors, ligands or drugs? Then check it out.
If having issues, please don't hesitate to let us know.
Thanks!
Alan, Luciano Kagami & Wim Vranken
---
Alan Silva, DSc
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Received on Fri Jul 19 2019 - 12:00:02 PDT
