MULFIT

This program is the realisation of a method for calculating electrostatic potential-fitted charges (Ferenczy 1991, Chipot et al. 1993, Winn et al. 1997, Ferenczy et al. 1997). In addition to the fit of charges to potentials, higher rank moments and the derivatives of the potential can also be involved in the calculation.

More Information

For more information visit the MULFIT website.

Available Versions

These versions of MULFIT are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.