ok, I didn't understand the last mail well. you can
definitely do angle restraints using the NMR restraint
option. check the manual carefully, and if it is not clear,
please let us know which part you do not understand.
----- Original Message -----
From: Jiten
To: amber.scripps.edu
Sent: Tuesday, July 13, 2004 5:28 AM
Subject: AMBER: Angle restraint during MD
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 : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e
Home Page : http://www.geocities.com/njs_19
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Received on Tue Jul 13 2004 - 13:53:01 PDT
