Dear amir:
You have 2 issues:
1. maintain planar plates
2. inhibit plate rotation.
I think that the planarity is actually going to be a bigger problem
for you (unless of course you want your plates to be able to bend).
Position restraints in the relevant dimensions seems like a reasonable
way to accomplish both above mentioned issues. What's the problem with
using position restraints? There should be no rotation allowed by them.
Chris.
-- original message --
Hi,
i want to simulate 2 parallel plates (each composed of single atoms with
equal spacing , for example 2X2 atoms plate)
i want to simulate them such that they are parallel to each other and can
move only along one axis (for that i used posre.itp..)
what is the best best way to prevent them from rotating with respect to each
other?
i tried to define improper angles between atoms on the surfaces, do you
think it is a good strategy?
thanks,
amir
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