[gmx-users] pbc problem
shahab.shariati at gmail.com
Thu Oct 24 16:57:45 CEST 2013
Thank for your reply.
If I show my system as 4 regions, my system before equilibration is as fallows:
region (1): water + drug
region (2): top leaflet of bilayer
region (3): bottom leaflet of bilayer
region (4): water
After equilibration, drug molecule exits region (1) and enters region (4).
Please tell me how to fix it? Which options of trjconv are appropriate
for this problem?
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