Hi everyone,
I am using antechamber to prepare a prep file for a residue: TMS.pdb.
$AMBERHOME/exe/antechamber -i TMS.pdb -fi pdb -o TMS.prep -fo prepc -c bcc
It works for my computer(call it Computer 1). However, when running using another's computer(Call it computer 2), It shows:
Total number of electrons: 198; net charge: 0
Running: /home/na3m/Download/AMBER10/amber10/bin/mopac.sh
Error: unable to find mopac charges in mopac.out
For parmchk: I continue my work on Computer 1:
$AMBERHOME/exe/parmchk -i TMS.prep -fi prepc -o TMS.frcmod
It shows:
Memory fault.
I doubt it is the debugger's problem, so I copied TMS.prep and TMS.pdb to Computer 2 run the same parmchk instruction, it shows:
Segmentation fault.
I am puzzled about these problems. Seems they are similar however I do not know how to deal with them.
PS: TMS.pdb and TMS.prep attached and both of the computer are using Amber10.
Thank you very much!
cyk5056
2009-11-04
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
- application/octet-stream attachment: TMS.pdb
- application/octet-stream attachment: TMS.prep
Received on Tue Nov 03 2009 - 18:30:02 PST
