THERMODYNAMIC INTEGRATION ON in namd 2.7b1 compiled 24.07 when TCL forces active

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Wed Jul 29 2009 - 05:03:27 CDT

Dear NAMD users,

I still get some strange behavior on NAMD 2.7b1. I compiled the CVS code
on 24th of July and use it with tcl forces active. Sometimes I get in
the namd output file 'THERMODYNAMIC INTEGRATION ON" and it looks as if I
am trying to do some TI simulations but in reality I don't touch
anything related to TI. I just have a tcl script which I source.

It does not happen with all tcl forces implementations ...

Has anybody seen anything like this ?

Best wishes
Vlad

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