[gmx-users] Restrict rotation between 2 molecules

chris.neale at utoronto.ca chris.neale at utoronto.ca
Tue Jan 26 00:24:42 CET 2010

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.


-- original message --


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

i tried to define improper angles between atoms on the surfaces, do you
think it is a good strategy?


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