Jian Dai wrote:
Hello, everyone:
I have a system which is composed of a lipid bilayer and water layers
upon each monolayers.
Now the problem is that after the simulation, the lipid bilayer shift
upward inside the simulation box , and makes the upper water layer
thinner, while the lower water layer thicker.
In mdp file I turned off the COM for SOL and LIPID separately, and as a
default, comm_mode=angular.
Do you have any idea?
Thank you in advance.
Jian
you shouldn't use angular with periodic boundary conditions, change it
to linear.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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