[gmx-users] About DPPC Cut-off

vidhya sankar 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

More information about the gromacs.org_gmx-users mailing list