AMBER Archive (2002)

Subject: pseudoatoms and NMR restraints

From: david (dpantoja_at_iqfr.csic.es)
Date: Tue Nov 05 2002 - 03:46:42 CST

hi ambers users,

I have a NMR strucutre of a protein, so I would like to do some
simulation in AMBER, using my NMR restrains.
 I have not any stereospecific assignment of HB*(QB), HG*(QG),HD*(QD)
and I have some restraints involve a pseudoatoms
 How could I build my file of restraints in that case ?

  for instante,
 
   HA and QB or QG or QD
   HA and methyl group,
   QB or QG or QD and methyl group,
    methyl group and methyl group,

thank for advanced,
david
   
   

-- 
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~+
~ David Pantoja Uceda. Ph.D Student		  ~
~ Instituto de Química Física Rocasolano. C.S.I.C.~
~ Serrano 119, 28006 Madrid, SPAIN.		  ~
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