[gmx-users] About DPPC Cut-off
scvsankar_agr at yahoo.com
Sun Oct 28 17:01:28 CET 2012
Dear justin Thank you for your previous reply,
Finally I Have Found out problem When I Shrink My system Using Script The Size of the box at the end of System_inflated.gro file is not as i Have Assigned previously it has been Changed From Box size from 6 6 6 to 27 27 6.00 when I edit The end line of Output file Everything become Ok (when i Solvate it has been solvated with 1024 sol Molecules)
Now Can i use different DPPC Cut-off Value (20 or 25 ) ? or Different Scaling Factors (instead 0.95)
Because When i Use 14 for my System No Lipid Molecules has been Deleted
Also There is sudden Shrink in APL When I go from first iteration and EM to Second Shrink ( from 93A to 4.7A)
Why Such Drastic Fall of APL Occurs?
How to Rectify this Problem?
Thanks in Advance
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