[gmx-users] Simulating crystalls
ella.gale at imperial.ac.uk
Tue May 23 11:57:09 CEST 2006
I was wondering is it possible to simulate a crystall by just simulating a unit cell in GROMACS? I want the molecule to be able to interact with the images of itself, but I don't seem to be able to set rlist, rvdw or rcoulomb any larger than half the unit cell size, which explicitly prevents my molecule from interacting with itself.
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