How to go about putting restraints in a MD considering 2 proteins.
I have 2 proteins which want to dimerize and I am studying the mechanism of dimerization.
I want to set up a amber simulation whereby the monomers are separated by a distance of 10/12 Angstroms and during the course of simulation I want to check if they are coming closer to dimerize or not.
To do this, I want to restrict any kind of motion in the y and z directions so that the only motion the molecules denote is in the x direction.
How to implement in amber 16 input file.
Pls help.
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Received on Tue Aug 07 2018 - 14:30:02 PDT
