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
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