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AMBER Archive (2009)
Subject: [AMBER] Re: MM_PBSA error
From: Jagdeesh C (jagc666_at_gmail.com)
Date: Fri Nov 27 2009 - 03:20:27 CST
- Previous message: Jagdeesh C: "[AMBER] MM_PBSA error"
- In reply to: Jagdeesh C: "[AMBER] MM_PBSA error"
- Next in thread: Mengjuei Hsieh: "Re: [AMBER] Re: MM_PBSA error"
- Reply: Mengjuei Hsieh: "Re: [AMBER] Re: MM_PBSA error"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
Hello,
I got this warning in my binding_energy.log
Can someone suggest me what this error might mean. I will give more
information if required.
Thanks
Jagdeesh
=>> Doing statistics
=>> Reading input
=>> Reordering files
Final order:
1. snapshot_com.all.out: -
2. snapshot_rec.all.out: -
3. snapshot_lig.all.out: -
=>> Reading files
Reading snapshot_com.all.out
WARNING: Missing BOND for MM in 0 -> Taken from -1
WARNING: Missing ELE14 for MM in 0 -> Taken from -1
WARNING: Missing ELENB for MM in 0 -> Taken from -1
WARNING: Missing VDWNB for MM in 0 -> Taken from -1
WARNING: Missing DIHED for MM in 0 -> Taken from -1
WARNING: Missing ANGLE for MM in 0 -> Taken from -1
WARNING: Missing VDW14 for MM in 0 -> Taken from -1
WARNING: Missing GB for GB in 0 -> Taken from -1
WARNING: Missing PB for PB in 0 -> Taken from -1
WARNING: Missing PBCAV for PB in 0 -> Taken from -1
WARNING: Missing PBDIS for PB in 0 -> Taken from -1
WARNING: Missing SURF for MS in 0 -> Taken from -1
WARNING: Missing BOND for MM in 1 -> Taken from 0
WARNING: Missing ELE14 for MM in 1 -> Taken from 0
WARNING: Missing ELENB for MM in 1 -> Taken from 0
WARNING: Missing VDWNB for MM in 1 -> Taken from 0
WARNING: Missing DIHED for MM in 1 -> Taken from 0
WARNING: Missing ANGLE for MM in 1 -> Taken from 0
WARNING: Missing VDW14 for MM in 1 -> Taken from 0
WARNING: Missing GB for GB in 1 -> Taken from 0
WARNING: Missing PB for PB in 1 -> Taken from 0
WARNING: Missing PBCAV for PB in 1 -> Taken from 0
WARNING: Missing PBDIS for PB in 1 -> Taken from 0
WARNING: Missing SURF for MS in 1 -> Taken from 0
On Fri, Nov 27, 2009 at 9:58 AM, Jagdeesh C <jagc666_at_gmail.com> wrote:
> Hello,
>
> I am facing problem while trying to use MM_PBS calculations. The log has
> been attached below.
> I have already applied all the bugfixes but I still got the same error
> message.
>
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at
> /root/AMBERTOOLS/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> No data for 0+0 MM BOND 0
>
>
> Regards,
> Jagdeesh
>
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