Knowledge Base

Article ID: 907 - Last Modified: December 4, 2010

Is it possible to run an MD simulation with implicit solvent using Desmond?

Although it is possible to run a gas-phase simulation in Desmond, the main application of the software is in running explicit solvent simulations. If you want to run MD simulations in an implicit solvent, you can use Impact or MacroModel.

Keywords: Dynamics, implicit, explicit, Poisson-Bolzmann, PB, Generalized Born, GB

Back to Search Results

Was this information helpful?

What can we do to improve this information?


To ask a question or get help, please submit a support ticket or email us at help@schrodinger.com.
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles