Re: constraining hydrogen bonds

From: Bill Ross <ross_at_cgl.ucsf.edu>
Date: Sun 22 Jul 2001 15:50:24 -0700 (PDT)

        I am having a doubt regarding the usage of ntc=2, which will constrain
        all bonds involving hydrogen atoms in md input.Is it true that if i
        use this it will also constrain initial solute,solvent hydrogen bonds?
        
SHAKE only constrains covalent bonds.

Bill Ross
Received on Sun Jul 22 2001 - 15:50:24 PDT