[gmx-users] pull distance

milad ekramnia wmetamorphist at gmail.com
Wed Apr 28 22:43:21 CEST 2010


Dear Gromacs Users

I have set my pull option as "constant force" and  the pull geometry is
"distance"
the manual has stated that the pull_k1 unit is kJ/mol/nm . does it mean that
the force applied to the
protein is proportional to the distance between the 2 groups ? else what is
it ?

my second question is that what is the preferable choice for the pull ref
group (pull_group0) in a protein when the force is exerted to the first and
last res of the molecule .

Best Regards
Ali
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