AMBER Archive (2004)

Subject: AMBER: restrained options

From: Toshifumi Yui (
Date: Tue Nov 16 2004 - 10:42:22 CST

Dear Amber members

It seems to me that combined use of NMR restrains of rotational angles and
restrained Cartesian coordinates with ntr = 1 causes a sort of confliction
error between corresponding options, although these operations affect
different sets of atoms, respectively. Am I right ? Is there any solution ?

Thank you.

Toshifumi Yui
Miyazaki University, Japan.

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