[gmx-users] water in lipid bilayer

N-J.M. Macaluso njmm2 at cam.ac.uk
Mon Nov 19 12:52:49 CET 2007

Do you mean constrain the force constants just in the z-direction? Keep in 
mind that the water is already in the gap, so it's now a matter of getting 
it out. Would constraining water in any direction accomplish this?



On Nov 19 2007, himanshu khandelia wrote:

>>  I already constrained the waters in the z-direction
>> at the start of the simulation, so that didn't work in this case.
>This happened to me as well. Try increasing the force constants on
>water by an order of magnitude.
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