Hi Amber Users,
I am trying to prepare the ATP molecule (attached) using antechamber. I
added hydrogen using xleap and the used antechamber to prepare it..
With following commands:
*antechamber -i ATP_H.pdb -fi pdb -o ATP_H.ac -fo ac -c bcc -nc -4*
I got this error:
*Running: /opt/bwgrid/chem/amber/12/bin/sqm -O -i sqm.in <http://sqm.in> -o
sqm.out*
*Error: cannot run "/opt/bwgrid/chem/amber/12/bin/sqm -O -i sqm.in
<
http://sqm.in> -o sqm.out" of bcc() in charge.c properly, exit...*
Please suggest me what I did wrong..
THanks,
Hirdesh
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
- application/octet-stream attachment: sqm.out
Received on Wed Aug 06 2014 - 08:00:03 PDT
