Hello all,
I think there is a small bug in AMBER 7 when reading a .crd file created
with "saveamberparmpert" in xleap :
GIBBS stops with :
READING ATOMIC COORDINATES AND VELOCITIES
-----------------------------------------
%GIBBS-F-MISMATCH, The parm and coord files disagree on the number of
atoms
the number of atoms in .crd is in I6 format, one needs to manually edit
it to I5 so that GIBBS can read it.
It seems like the note p304 of the manual is not true for GIBBS.
Hagop.
--
Hagop Demirdjian
Département de Chimie
Ecole normale supérieure
24, rue Lhomond
F-75231 Paris Cedex 05
Tél. 01 44 32 24 10
Received on Thu Nov 14 2002 - 07:40:32 PST
