Hi,
I am trying to run sander (minimization) (amber7) for a sistem of 50000
residues (180000 atoms)
In the first run I am minimizing only the solvent water molecules.
The minimization stops with a message "Exceeding lastist in get_istack"
The message belongs to istak.f subruitine. But it is not clear to me, if I have
fo Increase MAX_ISTACK in sizes.h and recompile, or there is a variable
"lastist" which I can handle from the input.
Thanks
Guille
Dr Guillermina Estiu
Chemistry Department
Pennsylvania State University
PA 16802
Received on Tue May 13 2003 - 19:53:01 PDT
