[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

Schloss-Wolfsbrunnenweg 35
69118 Heidelberg

phone   +49 6221 533 237
fax     +49 6221 533 298
email   bernd.doser at h-its.org
Amtsgericht Mannheim / HRB 337446
Managing Director: Dr. Gesa Schönberger
Scientific Director: PD Dr. Wolfgang Müller

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