Re: [AMBER] APPEND option does not work in TRAJOUT of CPPTRAJ

From: kurisaki <kurisaki.ncube.human.nagoya-u.ac.jp>
Date: Wed, 27 Jun 2012 15:45:00 +0900

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
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