[gmx-developers] GROMACS-RAMD implementation using PULL code
Bernd Doser
bernd.doser at h-its.org
Thu May 23 09:29:03 CEST 2019
Dear GROMACS developers,
Currently I am working on a implementation of the 'Random Acceleration
Molecular Dynamics' (RAMD) method into GROMACS. Please find details to
RAMD at https://www.h-its.org/software/ramd/
For the implementation into GROMACS we want to use the PULL code. I
found some references in the code for intentions to migrate the PULL
code into the new ForceProvider feature, which I would appreciate very much.
Regarding to GROMACS-RAMD I would like to know, if there is a concrete
schedule for the ForceProvider migration.
Thank you in advance for any information.
Best regards,
Bernd Doser
--
Dr. Bernd Doser
Software Developer
HITS gGmbH
Schloss-Wolfsbrunnenweg 35
69118 Heidelberg
Germany
phone +49 6221 533 237
fax +49 6221 533 298
email bernd.doser at h-its.org
http://www.h-its.org
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