[gmx-users] Membrane-protein tutorial
ramezanpour.mohsen at gmail.com
Mon Mar 7 16:41:55 CET 2011
Is there any criteria for choosing vdwradii for carbon atoms?
Because I have changed it from 0.15 to 0.375,but there were afew water
molecules,it is difficult to delete them manually.
then I decided to increase the vdwradii to 0.450
it is better now but i think the gap between water surface and lipids
surface is a little big,although there are still a few water molecules
But this work can reduce the interactions between water molecules and my
system in the next steps.
Am I right?
thanks in advance
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users