Hi,
I ran nmode for my protein-RNA system for the complex,
ligand, and receptor for 3 snapshots. I do get the
outputs in the files file_com.all.out, file_lig.all.out,
and file_rec.all.out. I don't get the file that
contains the statistics for the results
file_statistics.out .
The error message given is listed below. How can I get
the statistics and what is wrong with my nmode run?
Thanks,
Suzie Byun
=>> Doing statistics
=>> Values of global variables
TEMP = 300
R = 8.314
gammaP = 0.00542
betaP = 0.92
gammaG = 0.0072
betaG = 0
=>> Reading input
=>> Reordering files
Final order:
1. u1arna_wtup_com.all.out: -
2. u1arna_wtup_rec.all.out: -
3. u1arna_wtup_lig.all.out: -
=>> Reading files
Reading u1arna_wtup_com.all.out
WARNING: Missing SVIB for NM in 0 -> Taken from -1
WARNING: Missing STOT for NM in 0 -> Taken from -1
WARNING: Missing SVIB for NM in 1 -> Taken from 0
WARNING: Missing STOT for NM in 1 -> Taken from 0
Reading u1arna_wtup_rec.all.out
Checking CALC
Reading u1arna_wtup_lig.all.out
Checking CALC
WARNING: Missing SVIB for NM in 0 -> Taken from -1
WARNING: Missing STOT for NM in 0 -> Taken from -1
WARNING: Missing SVIB for NM in 2 -> Taken from 1
WARNING: Missing STOT for NM in 2 -> Taken from 1
=>> Treat special parameters
Use of uninitialized value in multiplication (*) at
/usr/apps/chemistry/Amber/amber7.2/src/mm_pbsa/mm_pbsa_statistics.pm
l
ine 1258.
Use of uninitialized value in multiplication (*) at
/usr/apps/chemistry/Amber/amber7.2/src/mm_pbsa/mm_pbsa_statistics.pm
l
ine 1258.
Use of uninitialized value in multiplication (*) at
/usr/apps/chemistry/Amber/amber7.2/src/mm_pbsa/mm_pbsa_statistics.pm
l
ine 1258.
Use of uninitialized value in multiplication (*) at
/usr/apps/chemistry/Amber/amber7.2/src/mm_pbsa/mm_pbsa_statistics.pm
l
ine 1258.
Use of uninitialized value in multiplication (*) at
/usr/apps/chemistry/Amber/amber7.2/src/mm_pbsa/mm_pbsa_statistics.pm
l
ine 1258.
Use of uninitialized value in multiplication (*) at
/usr/apps/chemistry/Amber/amber7.2/src/mm_pbsa/mm_pbsa_statistics.pm
l
ine 1258.
=>> Calc missing parameters
=>> Calc delta
No data for 0+0 NM SVIB 0
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Received on Wed Jan 14 2004 - 15:53:11 PST
