[gmx-users] Decane layer
mn2 at hw.ac.uk
Mon Aug 8 19:11:10 CEST 2005
Currently I am having problem with creating decane water interface. I have
tried two ways: 1st I get the editconf to fix the density and then run the
mdrun. the mdrun chrashed because of the bad contact. I minimised the
energy and was not helpfull. Then, I tried coupling pressure and it did
not work as well. When I get the right density mdrun crashes and when I
increase the box size mdrun runs ok but I can not get the right density.
Is there any solution of this problem?
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