TI analysis script

From: Javad Noroozi (noroozi_javad_at_ymail.com)
Date: Sat Apr 19 2014 - 08:16:18 CDT

I have run FEP calculation with ti method and for analysis and extracting the total free energy difference using the provided script in NAMD i run following command , ./namd2_ti.pl -f fep.ti.out but i keep getting this massage, Reading files: ion.ti.out...   Modification of non-creatable array value attempted, subscript -9 at ./namd2_ti.pl line 102, <FILE> line 860. can any one help me out? Thanks in advance. ___________________ Javad Noroozi,Department of Chemical Engineering,Sharif University of Technology Email: jnoroozi_at_che.sharif.ir

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