Hi amber users,
Is there a way to make amber recognize and build automatically a topology
for any given chemical? What would be the limitations?
To my knowledge amber recognizes residues and will not build a topology
file if the structure does not match one that exists in its library.
Is there a way to shortcut the "residue recognition" and use the atom
types, bond, angles and torsions defined by default in the force field?
Thank you,
Ioana
******************
Ioana Cozmuta, PhD
Research Scientist
Eloret Corporation
Mail Stop 230-3
NASA AMES Research Center
Moffet Field, CA 94035-1000
Phone: (650) 604-0993
http://www.ipt.arc.nasa.gov/computationalpeople.html
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Received on Mon Apr 26 2004 - 23:53:00 PDT
