[gmx-users] distance restraints

Bernd Rupp ruppb at uni-duesseldorf.de
Fri Mar 15 11:44:31 CET 2002


Hi gmx Users,

i have one short guestion about an option for define an distance restrain.

at the disre_weighting are two posibilities to use: equal an conservative
but wath mean this!
i don´t understand the manual descripion very well.

means equal that the force in disre_fc is distributed about all isre pairs,
and with the conservative opition the disre_fc is puted on every pair?

for example:

5 pair fc is 1000
with equal the force one every pair is 200
and with conservative the force one every pair is 1000



thanks for help

Bernd




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