pseudoatoms and NMR restraints

From: david <>
Date: Tue 05 Nov 2002 10:46:42 +0100

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 Pantoja Uceda. Ph.D Student		  ~
~ Instituto de Química Física Rocasolano. C.S.I.C.~
~ Serrano 119, 28006 Madrid, SPAIN.		  ~
~ Phone          +34-91-5619400 ext. 1182	  ~
~ FAX            +34-91-5642431 		  ~
~ e-mail		  ~
Received on Tue Nov 05 2002 - 01:46:42 PST
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