[gmx-users] Re: AMBER (parm96) force field & hydrogen/termini database
Graham Smith
smithgr at cancer.org.uk
Thu May 2 20:11:33 CEST 2002
There's already a charmm-format version of amber 94 which seems to have
translated the special N and C terminal / 3' 5' end residues into patch
residues, if that's any use to anyone -
http://master2.lobos.nih.gov/~cheatham/software.html.
There were a couple of other people who might be working on this
as well weren't there - I remember a message from Patrick Ladam (March 02)
I don't mind helping if you want some drudge work, eg making hdbs for the
nucleotides.
-Graham
########################################################################
Dr. Graham R. Smith, Department of Biological Sciences,
Biomolecular Modelling Laboratory, Biochemistry Building,
Cancer Research UK, Imperial College of Science,
44 Lincoln's Inn Fields, Technology & Medicine,
London WC2A 3PX, London SW7 2AZ,
U.K. U.K.
Tel: +44-(0)20 7269 3348 Tel: +44-(0)20 7594 5734
email: graham.smith at cancer.org.uk
URL: http://www.bmm.icnet.uk/~smithgr
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