[gmx-users] Restarting Pull Code

alexander.rhee at utoronto.ca alexander.rhee at utoronto.ca
Fri Jul 25 17:22:01 CEST 2003


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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