RE: AMBER: shake constraint on all bonds

From: Yong Duan <>
Date: Wed, 5 Nov 2003 23:08:44 -0500

You may use dt=2.0fs.
-----Original Message-----
From: [] On Behalf
Of Jian Zhang, Dr
Sent: Wednesday, November 05, 2003 10:34 PM
To: amber
Subject: AMBER: shake constraint on all bonds
Dear amber users,
Could anybody kindly tell me the most appropriate time step
if I set ntc=3, namely, all bonds stretching freedom are removed.
And, could anyone comment on this if I intend to study protein
dynamics in water?
Thank you very much.
J. Zhang ,Dr
Institute of Biophysics
Nanjing University
P. R. China

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Received on Thu Nov 06 2003 - 04:53:01 PST
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