Dear AMBER users,
I want to carry out MD run for short peptide by the SANDER program ( AMBER
6) with NMR constraints derived from DIANA files.
One of peptide residues is non-standard residue( Threonine linked with
sugar ) which is not described in map.DG-AMBER and tordef.lib files
necessary for using of standard procedures ( makeDIST_RST and make ANG_RST
) to convert a simplified description of distance and angle bounds into
a detailed input ( RST file ) for SANDER.
Thus my question is how to create RST file with description for
non-standard residue?
Alexander Rubinshtein, Ph.D.
UNMC Eppley Cancer Center
Molecular Modeling Core Facility
_________________________________
University of Nebraska Medical Center
986805 Nebraska Medical Center
Omaha, Nebraska 68198-6805
USA
Office: (402) 559-5319
Fax: (402) 559-4651
E-mail: arubin_at_unmc.edu
Received on Mon Dec 18 2000 - 14:08:40 PST
