[AMBER] OPLS-AA/M force field

From: Rosellen, Martin <martin.rosellen.16.ucl.ac.uk>
Date: Tue, 16 Jun 2020 10:35:36 +0000

Dear AMBER community,

I would like to use the OPLS-AA/M force field in a set of AMD runs. I found the information that it is not easy to transform GROMACS parameter files to the AMBER format and I wonder if anyone has done the conversion of the OPLS force field already?

The idea of the project is to compare the sampling approach in this paper https://www.nature.com/articles/s41592-019-0583-8 with the AMD. I would do everything in GROMACS but to my knowledge GROMACS does not provide AMD.

all the best

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Received on Tue Jun 16 2020 - 04:00:03 PDT
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