David van der Spoel wrote:
-------- Original Message --------
Subject: conjugate gradients with constraints
Date: Wed, 11 Jul 2007 21:58:02 +0800
From: sunny <[EMAIL PROTECTED]>
To: <[EMAIL PROTECTED]>
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
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