AMBER Archive (2003)

Subject: xleap crashes

From: Layi Adekoya (adekoya_at_fagmed.uit.no)
Date: Mon Jan 13 2003 - 01:54:20 CST

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