[gmx-users] generate topology file containing all parameters?

David Mobley dmobley at gmail.com
Fri Jul 21 00:26:09 CEST 2006


Is there any way to automatically generate a topology file containing
all of the parameters that normally would come from the force field?
For example, filling in each bond in the [ bonds ] section with
explicit parameters that would instead usually come from the included
force field file which has the [ bondtypes ] section?


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