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. ~
~ Phone +34-91-5619400 ext. 1182 ~
~ FAX +34-91-5642431 ~
~ e-mail dpantoja_at_iqfr.csic.es ~
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~+
Received on Tue Nov 05 2002 - 01:46:42 PST
