Dear amber users,
I forgot showing errors. I hope this errors may be useful.
Last output file are shown here
=>> Reading input
=>> Reordering files
Final order:
1. ras_raf_II_wt_lig.all.out: -
=>> Reading files
Reading ras_raf_II_wt_lig.all.out
=>> Treat special parameters
=>> Calc missing parameters
=>> Calc average and stddev
Jitrayut
---------- Forwarded message ----------
From: jitrayut jitonnom <jitrayut.018.gmail.com>
Date: ม.ค. 22, 2007 12:09 หลังเที่ยง
Subject: AMBER: Can't run Normal Mode Analysis !!!
To: amber.scripps.edu
Dear amber users,
I found a problem on running normal mode analysis. This is a command
line i type:
# mm_pbsa.pl nmode.in > mm_pbsa.log.save &
But i found this error appear:
Can't use an undefined value as an ARRAY reference at
/AMBER/amber9/src/mm_pbsa/mm_pbsa_statistics.pm line 1294.
what is this error ? and what i can do for solve this problem.
Moreover, the input file is attach below;
Here the input file (nmode.in)
.GENERAL
PREFIX enz_lig_wt
PATH ./
#
COMPLEX 0
RECEPTOR 0
LIGAND 1
#
COMPT XXX
RECPT XXX
LIGPT ./lig.top
#
GC 0
AS 0
DC 0
#
MM 0
GB 0
PB 0
MS 0
#
NM 1
.NM
DIELC 4
MAXCYC 1000
DRMS 0.1
.PROGRAMS
Any suggestions will be appreciated.
Thank you in advance.
Jitrayut
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Received on Wed Jan 24 2007 - 06:07:20 PST
