[gmx-users] Facing errors while running grompp

santosh naik btsanty at gmail.com
Sat Apr 1 09:42:27 CEST 2006

hi guys
when i want to solvates the protein transferase (HUMAN PI3KGAMMA
COMPLEXED WITH AS605240).that contains hetero atom QYT . i have edited
the pdb file and removed the QYT and taken the cordinates from the
dundee prodrg server  and i got the coordinate files and itp files
from that.later i run the edited pdb with out QYT in pdb2 gmx to get
the gromos format. then i edited the gromos file and the and added the
coordinates of QYT to the gromos of the protein gromos and also edited
the top file usin the itp file of the QYT but when i cum to run the
grompp its showing the error of missing of one atoms what should i do?
can any one help me here?

thanking you
santosh naik

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