[gmx-users] dummies and positional restraints

Frauke Meyer fmeyer at iris3.simm.ac.cn
Tue Aug 24 09:04:39 CEST 2004


it seems that currently dummy atoms can not be restraint to their
starting position. Is there any particular reason for it, or would
it be easy to implement (if so, where?)? 
My dummies are not defined relative to other atoms but are generated
when mutating a ligand to dummy atoms.

Thanks for help

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