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CCPBioSim / fesetup

A tool for setting up free energy simulations.
http://www.ccpbiosim.ac.uk/software
GNU General Public License v2.0
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Cofactors in FESetup #14

Closed velocirraptor23 closed 4 years ago

velocirraptor23 commented 4 years ago

Hi there, I would like to setup a simulation with a ligand and a cofactor. Is it possible with FESetup?

Bests

Cesar

skfegan commented 4 years ago

Hi,

Yes, it is possible to setup a simulation with a cofactor. You would include the cofactor with the protein.

The FESetup users list can be subscribed to at: https://www.jiscmail.ac.uk/cgi-bin/webadmin?A0=CCPBIOSIM-FESETUP

Best wishes, Sarah