![]() ![]() Notice that MD codes could in principle be "PLUMED ready" in their official distribution. It is thus recommended that you read the instructions at the end of this page. For some MD codes these instructions are insufficient. ![]() Again, if you are impatient, something like this will do the job: > cd /md/root/dir However, because PLUMED is mostly used to bias on the fly simulations performed with serious molecular dynamics packages, you can find instructions about how to patch your favorite MD code so that it can be combined with PLUMED below. Once the above is completed the plumed executable should be in your execution path and you will be able to use PLUMED to analyze existing trajectories or play with the Lennard-Jones code that is included. However, we strongly recommend to perform a full install. This is very useful so as to quickly test the implementation of new features. Notice that make install is not strictly necessary as plumed can be used from the compilation directory. > make doc # this is optional and requires proper doxygen version installed ![]() For those of you who are impatient, the following might do the job: >. Popular Linux Distros Ubuntu 20.04 LTS (Focal Fossa) 75,824 Packages Ubuntu 22.04 LTS (Jammy Jellyfish) 70,964 Packages CentOS 8 / RHEL 8 15,935 Packages Ubuntu 18.04 LTS (Bionic Beaver) 79,010 Packages Ubuntu 16.04 LTS (Xenial Xerus) 61,875 Packages Ubuntu 21.04 (Hirsute Hippo) 36,998 Packages Arch Linux 12,526 Packages Ubuntu 20.10 (Groovy Gorilla) 33,295 Packages Ubuntu 21.10 (Impish Indri) 64,636 Packages Debian 11 (Bullseye) 60,384 Packages openSuSE Tumbleweed 48,211 Packages openSUSE Leap 40,198 Packages Manjaro 13,109 Packages Fedora 36 70,928 Packages CentOS 7 / RHEL 7 650 Packages CentOS Stream 8 17,085 Packages Kali Linux 65,367 Packages Debian 10 (Buster) 58,416 Packages Fedora 35 72,396 Packages Arch User Repository (AUR) 86,997 Packages Fedora 34 68,716 Packages Ubuntu 22.10 (Kinetic Kudu) 69,412 Packages Oracle Linux 8 20,559 Packages Linux Mint 20.In this page you can learn how to configure, compile, and install PLUMED. All binaries have names starting with g_, for example mdrun has been : to install one of the MPI parallellized packages. If you want to run on a cluster, you probably want : mdrun has been compiled with thread parallellization, so it runs in parallel : The documentation is in the package gromacs-common. : This package provides single and double precision binaries. : performance means it is used also in several other field like polymer chemistry : It is developed for bio-molecules like proteins, but the extremely high ![]() : molecular dynamics computer simulations and subsequent trajectory analysis. Summary : Fast, Free and Flexible Molecular DynamicsÄescription : GROMACS is a versatile and extremely well optimized package to perform Last metadata expiration check: 1 day, 4:52:36 ago on Sun May 9 13:03:46 2021. ![]()
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