Hello£º
I¡®m having a problem with the bcc charge. I need to add bcc charge to my ligand, the format is mol2. Everything goes on smoothly everytime, but the error occured this time, the bcc charge can't be added to this ligand. The information of the feedback was:
Error:cannot run "/export/apps/amber12/bin/sqm -o -i sqm.in -o sqm.out" of bcc() in charge.c properly, exit.
Is there a know fix for this£¿ As this is the first step of preparing ligands, I am really nervous about it.
Best Wishes
Xiaoshu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 08 2014 - 22:30:02 PST
