[gmx-users] POPC Bilayer box

Simon Wang sim_wang03 at hotmail.com
Mon Apr 12 08:23:01 CEST 2004

Dear gmx-users,

I started from Peter's popc128a.pdb and extended the z dimension and readded 
water. The system was stable in 200ps w/ PME. Then I scale the box size to a 
larger one by genconf. The new system was fully minimized and run 50ps w/ 
pr. on the lipid. During the simulation, however, the waters at the corner 
of the box began to move to the middle and the density was incorrect. Please 
enlighten me the reason for this and the possible solutions.

Thanks in advance,


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