AMBER: Regarding SHAKE

From: gurpreet singh <>
Date: Sun, 30 Mar 2008 02:38:48 -0800

Respected Users

I am using versin 9.0 of AMBER. I want to put bond constraints between some
of the atoms in my system.
None of these atoms are hydrogens. In such case can we still put constraint
using SHAKE?

According to manual ntc=3 is not available for parallel version of AMBER and
ntc=2 is only for constraining those bonds which are with hydrogen atoms.

THanks and Regards

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Received on Fri Apr 18 2008 - 21:15:17 PDT
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