Dear Amber Users:
Does the xleap have a limit for number of residues which can be used using the x =
loadpdb mine.pdb command? my system has more than 10000 residues, including
waters. For all waters with residues number number > 10000 I get this error message:
-- residue 10000: duplicate H1 atoms (total 10)
-- residue 10000: duplicate H2 atoms (total 10)
-- residue 10000: duplicate O atoms (total 10)
-- residue 10001: duplicate H1 atoms (total 10)
-- residue 10001: duplicate H2 atoms (total 10)
-- residue 10001: duplicate O atoms (total 10)
-- residue 10002: duplicate H1 atoms (total 10)
-- residue 10002: duplicate H2 atoms (total 10)
-- residue 10002: duplicate O atoms (total 10)
-- residue 10003: duplicate H1 atoms (total 10)
-- residue 10003: duplicate H2 atoms (total 10)
-- residue 10003: duplicate O atoms (total 10)
-- residue 10004: duplicate H1 atoms (total 10).......etc
Any suggestions?
thanks a lot,
Anton
*******************************
* Anton B. Guliaev, Ph.D *
* Life Sciences Division *
_ * LBNL, Berkeley CA 94720 * _
/ )* abguliaev_at_lbl.gov *( \
/ / * F:(510)-486-6488 * \ \
_( (_ * T: 510-486-5773 * ) )_
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Received on Fri Sep 21 2001 - 15:13:03 PDT