AMBER Archive (2001)

Subject: Re: constraining hydrogen bonds

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Sun Jul 22 2001 - 17:50:24 CDT

        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