Free Energy Calculation Using Thermodynamic Integration

From: Javad Noroozi (
Date: Mon Mar 17 2014 - 02:06:08 CDT

Dear all, Does any one have experience with TI method in NAMD? I have obtained derivatives of U with respect to coupling parameter and tried to use the ti script to plot and analysis the result, but it gives error saying '' ERROR LINE 314"" , can any one help me with this problem. Thanks in advance, Javad

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