[gmx-users] Coordinate file for lipid bilayer
jalemkul at vt.edu
Wed Oct 3 15:03:50 CEST 2012
On 10/3/12 8:59 AM, James Starlight wrote:
> Might the modifications of the vdwradii.dat be suitable for such
> system expanding or (on other hand) reduction (as in the below picture
> are shown). In the lattter case I defined new box dimensions (smaller
> than initial box dims) and would like to remove all side water-lipids
> layer which are beyond new pbc dimensions)?
I don't know if that will have much of an effect or not. The values in
vdwradii.dat are used to determine if there is atomic overlap with coordinates
being added (solvent) to the solute configuration.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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