[gmx-users] information for analysis
Louic Vermeer
louic at louic.nl
Thu Jan 31 18:46:49 CET 2008
On Thursday 31 January 2008 18:36, pragya chohan wrote:
> hello users
> please can you tell me how to calculate surface area per lipid, orer
> parameters, area per head group of lipid from simulation thanks in advance
There are different methods to calculate the area per lipid, check the
literature. The easiest way is to divide the area of the box by the number of
lipids.
To get the order parameters you need to make an index file that contains all
the atoms you want to include in the order parameter calculation. Use
make_ndx. After that, try g_order. You may also want to read the manual.
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