AMBER Archive (2003)

Subject: AMBER: shake constraint on all bonds

From: Jian Zhang, Dr (jzhang_at_biophy.nju.edu.cn)
Date: Wed Nov 05 2003 - 21:34:24 CST


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
Nanjing
P. R. China







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