AMBER Archive (2008)

Subject: AMBER: Regarding SHAKE

From: gurpreet singh (gps.iitm_at_gmail.com)
Date: Sun Mar 30 2008 - 05:38:48 CDT

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
Gps

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