Hi,
I am using a redheart8.0 linux box with Amber7.
I had first ran antechamber to generate the charges
for the ligand. I soured leaprc.gaff.
I loaded the prep input files and that
of the parameters ( frcmod).
sourced leaprcff.94 for the protein.
make bond unit.1.* unit.2.* (to make the bond between ligand and protein)
set unit.1.* type ~ (to change atom type after making bond)
saveamberparm unit *.top *.crd
then it crashes. it does write the *.top file but not the
*.crd file.
I checked all the bonds made and the types and all was rightly
done.
It was just at the last command that it crahsed.
Regards,
Layi
Received on Sun Jan 12 2003 - 23:54:20 PST
