From: ladam (ladam_at_smbh.smbh.univ-paris13.fr)
Date: Thu May 06 2004 - 03:33:34 CDT
Hi all,
I used to apply distance and dihedral user restraints with charmm
forcefield.
Now I am switching to AMBER. I was able to generate the prmtop
and prmcrd files using the NAB software from the case group.
I have been running MD without restraints and it works
fine.
My problem appears when I want to add distance restraints
as I have no segment name in my prmtop and prmcrd files so
I can't define an atom.
Do you have a solution for that?
Bye and thanks
-- ------------------------------------------------------------------ | Patrick LADAM | | | Laboratoire CSSB | THE BIG BANG THEORY: | | UFR SMBH | | | 74 rue Marcel Cachin | In the begining there was | | 93017 Bobigny CEDEX | nothing at all. | | >>> NEW e-mail: <<< | | | ladam_at_smbh.smbh.univ-paris13.fr | Then, it exploded... | | Tel: 01 48 38 77 26 / 76 85 | | | Fax: 01 48 38 77 77 | | ------------------------------------------------------------------
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