[gmx-users] flags for internal coordinates restraints
gromacsquery at gmail.com
Wed Dec 4 18:34:53 CET 2013
LINCS or SHAKE (all atoms) can be used for this?
or some better options available? it can be seen as two protein helix
interacting with each other as rigid bodies...
On Wed, Nov 27, 2013 at 12:35 AM, gromacs query <gromacsquery at gmail.com>wrote:
> Dear All
> I want to simulate two polymer chains as rigid bodies, in other words
> allowing two polymer to interact with each other but keeping their internal
> coordinates restrained. Also it can be seen as two rods interacting with
> each other.
> Which flags/options can be used in Gromacs?
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