Molecular Simulations: Getting Started


(For our Rendering and VFX simulation services, see HERE).  Getting started with GridMarkets involves two simple steps: 1) creating a GridMarkets account, and 2) downloading our plugins.  These steps are common to all of the services that we offer.

Step 1: Creating an Account

To run molecular simulations in the GridMarkets cloud, first create a (free) GridMarkets account (see the "Create Account" button below).  Once done, (10) free credits, to trial our drug discovery service, will be added to your account.  Note: these credits expire if unused +14 days from account creation.​

Step 2: Download our Plugins

See HERE to download our plugins to complete the setup process.  The first download is for Envoy GridMarkets' tool to securely manage the upload of project files to/from our cloud.  Then, if you are using:


  • MOE,  our MOE plugin is included in the Envoy download (no additional downloads required),

  • Amber, NAMD or Gromacs, a second download is needed and can be found HERE.

gromacs, namd, amber, moe

Amber antibody design Bioinformatics biologics design CCG Cheminformatics cloud molecular modeling simulation dynamics computational chemistry computer aided molecular design Docking drug discovery GROMACS MOE Molecular protein Modeling NAMD virtual ligand screening biologics biologics design biologists biotechnology Chemical Computing Group crystallographers dna modeling Drug Discovery Software fragment-based discovery gpu accelerated molecular simulations Ligand Receptor ligand-based design Medicinal Chemistry medicinal chemists moesaic molecular dynamics simulations in the cloud molecular operating environment molecular simulation molecular simulations in the cloud molecular visualization peptide modeling peptides pharmaceutical pharmacophore Discovery Protein Analysis Protein Modeling Protonate States QSAR rna modeling Scaffold Replacement simulation simulations small molecules structural bioinformatics structural biology structure database structure-based design virtual screening vls