[gmx-users] negative reaction coordinate during pulling

[edesantis]

dear all,

I am studing the affinity between an antibody and a peptide; I am 
intrested in the evaluation of the PMF using gmx wham after the umbrella 
sampling technique.


During the pulling steps, the absolute value of the reaction coordinates 
increases, while its sign is negative,
It could be a problem for the code??

thank you in advance
best regards
Emiliano



-- 
Emiliano De Santis