[gmx-users] [Fwd: conjugate gradients with constraints]

[Mark Abraham]

David van der Spoel wrote:
> 
> 
> -------- Original Message --------
> Subject:     conjugate gradients with constraints
> Date:     Wed, 11 Jul 2007 21:58:02 +0800
> From:     sunny <sunny_rjh at 163.com>
> To:     <support at gromacs.org>
> 
> 
> 
> Dear Sir or Madam:
> 
> If I want to do conjugate gradients with constraints, how the
> conj_grad.mdp file (as follows) should be modified. I am looking forward
> to your kindly suggestions. Thank you!

Read section 3.10 of the manual.

Mark