diff --git a/docker/Dockerfile b/docker/Dockerfile index b7a15c3a9b4a06c072acb38b029dc9667c744c56..93ba3a0c638ff7bacaa2d9ae0905cdd89e5b4207 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -5,7 +5,6 @@ FROM ubuntu:20.04 ARG OPENSTRUCTURE_VERSION="2.3.0" ARG SRC_FOLDER="/usr/local/src" ARG CPUS_FOR_MAKE=2 -ARG MSMS_VERSION="2.6.1" ARG OPENMM_VERSION="7.1.1" ARG OPENMM_INCLUDE_PATH="/usr/local/openmm/include/" ARG OPENMM_LIB_PATH="/usr/local/openmm/lib/"