[gmx-users] bond constraints

Gavin Melaugh gmelaugh01 at qub.ac.uk
Mon Aug 15 17:48:50 CEST 2011


Hi all

Sorry forgot to give a subject in the first e-mail. A very quick
question. If I want to constrain all bonds in my system,
is it just a case of setting  constraints = all-bonds. Do I have to
select the constraint algorithm. Here is my mdp file, I got no errors
but its seems that this might be too simple. Note there is no relevance
in the name umbrella here.

Cheers

Gavin




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