AMBER Archive (2004)

Subject: AMBER: Angle restraint during MD

From: Jiten (
Date: Tue Jul 13 2004 - 04:28:14 CDT

Hello all,

Sorry for the previous mail without subject.

Sander does no more support the restrainXYZ in the parmtop file. But using the NMR restraint I could do only distance and torsional angle restraint. I wish to put a small ion (having 3 atoms) under angle restraint during MD. I am wondering how can I solve this probelm

Any suggestions will be highly appreciated.

Thanks inadvance,

N. Jiten Singh
C/O Prof. Kwang S. Kim
Department of Chemistry
Pohang University of Science and Technology
San 31, Hyojadong, Namgu
Pohang 790-784, Korea
Phone : 82-54-279-5853 ( Lab ) / 279-4138 ( Appt )
Fax : 82-54-279-8137 (or +82-54-279-3399)
Web : and
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