PS.
I use AmberTools 1.5
Yours sincerely
IK
-----Original Message-----
From: kurisaki
[mailto:kurisaki.ncube.human.nagoya-u.ac
.jp]
Sent: Wednesday, June 27, 2012 3:37 PM
To: 'AMBER Mailing List'
Subject: [AMBER] APPEND option does not
work in TRAJOUT of CPPTRAJ
Dear Amber developers and users,
I would like to append trajectory
snapshots into the other one and
used APPEND option in TRAJOUT of
CPPTRAJ.
But the following error messages
appears:
INPUT: Reading Input from file check.sh
[trajin original.mdcrd 1 10 1]
[trajout append.mdcrd append
onlyframes 1-5 ]
Saving frames 1 2 3 4 5
[trajout appedn.mdcrd append
onlyframes 6-10 ]
ERROR: Setting up file for trajectory
appedn.mdcrd
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
^^^^^^^^^^
Here, I tried to append 10 snapshots in
original.mdcrd into append.mdcrd.
But APPEND option does not work although
it locates at the place the manual
refers.
I am most grateful if you tell me the
correct usage of this option.
Yours sincerely,
Ikuo Kurisaki
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Received on Wed Jun 27 2012 - 00:00:03 PDT
