[gmx-users] Restarting Pull Code
yesint4 at yahoo.com
Mon Jul 28 07:38:01 CEST 2003
Which kind of pull simulation do you use?
It's something strange with the pull code - it seems
that constrained pull do not work at all in 3.1.4...
--- alexander.rhee at utoronto.ca wrote:
> I've recently been working with the pull code in
> 3.1.5_pre1 and have inevitably
> run into crashes. It seems that when you restart
> the crashes using tpbconv the
> pull forces are reset to 0? so that when you merge
> the original run data and the
> new run data a sharp break will appear in the force
> curve where the pulling
> force just drops to 0.
> I was wondering if there was a way around this so
> that you can get a clean force
> curve without any breaks, or am I just missing
> something really obvious?
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