Thanks for your answers. I do not make me understood last time. I mean that <br>
IF(ABS(ekin_w-meta_env%ekin_s)> tol_ekin)THEN<br>
should be changed into (the following is my own change, not from CVS)<br>
IF((-ekin_w+meta_env%ekin_s)> tol_ekin)THEN<br>
<br>
As I said yesterday, my understanding is that only the high velocity
should be avoided. If the low velocity is also scaled to high
velocity, variable will always decreas or increase linearly. <br>
<br>
Ensing et al state as followson page 6683 (JPC, B, vol 109, 6676):<br>
<br>
' ... and second, we control the temperature of the
collective variable by scaling the velocity down if the temperature
becomes too high'<br>
<br>
Good Weekend<br>
Limin<br>
<br>