AMBER Archive (2007)

Subject: AMBER: Problem with MM-PBSA statistics

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Hi,

 I am having the following
 error:
 
 Use of uninitialized value at /src/mm_pbsa/mm_pbsa_createinput.pm line 439.
 Use of uninitialized value at /src/mm_pbsa/mm_pbsa_createinput.pm line 439.
 Use of uninitialized value at /src/mm_pbsa/mm_pbsa_statistics.pm line 1336.
 Use of uninitialized value at /src/mm_pbsa/mm_pbsa_statistics.pm line 1336.
 Use of uninitialized value at /src/mm_pbsa/mm_pbsa_statistics.pm line 1336.
 Use of uninitialized value at /src/mm_pbsa/mm_pbsa_statistics.pm line 1336.
 Use of uninitialized value at /src/mm_pbsa/mm_pbsa_statistics.pm line 1336.
 Use of uninitialized value at /src/mm_pbsa/mm_pbsa_statistics.pm line 1336.
     No data for 0+2 PB PB 0
 
 The statistics.in is produced but not the statistics.out.
 Has somebody any suggestion about how to solve this? Is
 it possible that something is wrong with my input files?
 
 Best regards
 Henar

• text/x-vcard attachment: henar.vcf

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• Next message: Hayden Eastwood: "AMBER: Problem with calcpka.pl and constant pH"
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• Reply: Sophie Barbe: "AMBER: AMBER MINIMIZATION"
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