[gmx-developers] (no subject)

Vibin R vinu at btc.iitb.ac.in
Fri Nov 22 18:29:13 CET 2002

	While doing simulated annealing a considerable percentage of the
structures recovered after cooling is found to be having cis amides, with
omega angle close to zero value. Can I some artificial means increase the
value of the force constant, so that the planarity of the amide bond is
maintained even at higher temperatures. If yes, I guess i may have to make
changes in ffG43a1bon.itp file. But where exactly should i change and to
what extent is permissible. 

Expecting your kind attention
 Vibin Ramakrishnan         	
 De novo design lab
 School of Biosciences and Bioengineering
 IIT Bombay                          	

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