[gmx-users] dummies and positional restraints
fmeyer at iris3.simm.ac.cn
Mon Aug 30 06:38:47 CEST 2004
Sorry, you are so right, dummies and positional restraints work - I have
found my problem,
On Thu, 2004-08-26 at 23:31, Berk Hess wrote:
> >Right, with free_energy = yes and dummies in the topology I get this
> >warning. But still, in the usual MD, why do the posres not work for
> So you are sure you have included the restraints in the dummy topology.
> What is the position restraint energy then?
> If I saw it correclty you only restrain atoms 2,10 and 18.
> Could it be that the dummy molecule is so flexible that it
> could move a lot, even when the 3 restrained atoms do not move a lot?
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